Name: 1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-
SKU: 722544-51-6

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Basic Information

Molecular Structure:
CAS No.:	722544-51-6
Name:	1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-

Formula:	C₂₆H₃₀FN₇O₃
Molecular Weight:	507.568
Synonyms:	AZD1152HQPA;INH 34;5-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide;AZD1152-HQPA;
Density:	1.359 g/cm³
Boiling Point:	796.7 °C at 760 mmHg
Flash Point:	435.6 °C
PSA:	128.29000
LogP:	3.64590

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Specification

The systematic name of AZD-1152HQPA is 2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide. With the CAS registry number 722544-51-6, it is also named as AZD1152-HQPA. The product's category is API Intermediates. In addition, its molecular formula is C₂₆H₃₀FN₇O₃ and molecular weight is 507.56.

The other characteristics of AZD-1152HQPA can be summarized as: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.35; (7)H bond acceptors: 10; (8)H bond donors: 4; (9)Freely Rotating Bonds: 12; (10)Polar Surface Area: 88.85 Å²; (11)Index of Refraction: 1.677; (12)Molar Refractivity: 140.66 cm³; (13)Molar Volume: 373.3 cm³; (14)Polarizability: 55.76×10^-24cm³; (15)Surface Tension: 66.7 dyne/cm; (16)Density: 1.359 g/cm³; (17)Flash Point: 435.6 °C; (18)Enthalpy of Vaporization: 121.5 kJ/mol; (19)Boiling Point: 796.7 °C at 760 mmHg; (20)Vapour Pressure: 9.07E-27 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(Nc1cccc(F)c1)Cc2cc(nn2)Nc4ncnc3c4ccc(OCCCN(CC)CCO)c3
(2)InChI:InChI=1/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
(3)InChIKey:QYZOGCMHVIGURT-UHFFFAOYAE
(4)Std. InChI:InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
(5)Std. InChIKey:QYZOGCMHVIGURT-UHFFFAOYSA-N