N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide

C69H66F2N18O6 — CID 159054041

IUPACN-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide
SMILESO=C(Cc1cc(Nc2ncnc3cc(-c4ccc(C(=O)N5CCN(C(=O)NC6CC6)CC5)cc4)ccc23)n[nH]1)Nc1cccc(F)c1.O=C(Cc1cc(Nc2ncnc3cc(-c4ccc(C(=O)N5CCN(C(=O)NCC6CC6)CC5)cc4)ccc23)n[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C35H34FN9O3.C34H32FN9O3/c36-26-2-1-3-27(17-26)40-32(46)19-28-18-31(43-42-28)41-33-29-11-10-25(16-30(29)38-21-39-33)23-6-8-24(9-7-23)34(47)44-12-14-45(15-13-44)35(48)37-20-22-4-5-22;35-24-2-1-3-26(17-24)38-31(45)19-27-18-30(42-41-27)40-32-28-11-8-23(16-29(28)36-20-37-32)21-4-6-22(7-5-21)33(46)43-12-14-44(15-13-43)34(47)39-25-9-10-25/h1-3,6-11,16-18,21-22H,4-5,12-15,19-20H2,(H,37,48)(H,40,46)(H2,38,39,41,42,43);1-8,11,16-18,20,25H,9-10,12-15,19H2,(H,38,45)(H,39,47)(H2,36,37,40,41,42)
InChIKeyJXQDBHHFOHGANF-UHFFFAOYSA-N
MW1281.40 g/mol
LogP9.67
Rot. Bonds17

About N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide

N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide (PubChem CID 159054041) has the molecular formula C69H66F2N18O6 and a molecular weight of 1281.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide
PubChem CID159054041
Molecular FormulaC69H66F2N18O6
Molecular Weight1281.40 g/mol
Exact Mass1280.54
IUPAC NameN-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide
SMILESO=C(Cc1cc(Nc2ncnc3cc(-c4ccc(C(=O)N5CCN(C(=O)NC6CC6)CC5)cc4)ccc23)n[nH]1)Nc1cccc(F)c1.O=C(Cc1cc(Nc2ncnc3cc(-c4ccc(C(=O)N5CCN(C(=O)NCC6CC6)CC5)cc4)ccc23)n[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C35H34FN9O3.C34H32FN9O3/c36-26-2-1-3-27(17-26)40-32(46)19-28-18-31(43-42-28)41-33-29-11-10-25(16-30(29)38-21-39-33)23-6-8-24(9-7-23)34(47)44-12-14-45(15-13-44)35(48)37-20-22-4-5-22;35-24-2-1-3-26(17-24)38-31(45)19-27-18-30(42-41-27)40-32-28-11-8-23(16-29(28)36-20-37-32)21-4-6-22(7-5-21)33(46)43-12-14-44(15-13-43)34(47)39-25-9-10-25/h1-3,6-11,16-18,21-22H,4-5,12-15,19-20H2,(H,37,48)(H,40,46)(H2,38,39,41,42,43);1-8,11,16-18,20,25H,9-10,12-15,19H2,(H,38,45)(H,39,47)(H2,36,37,40,41,42)
InChIKeyJXQDBHHFOHGANF-UHFFFAOYSA-N
XLogP9.67
TPSA296.48 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001281.40
LogP ≤ 59.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-piperidin-1-ylpropyl]amino]quinazoline-8-carboxamide
CID 66763511
4-[[1-[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-3-pyrrolidin-1-ylpropyl]amino]quinazoline-8-carboxamide
CID 66763530
3-[[4-amino-2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-8-yl]amino]-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 46181655
4-(1-{3-[(5-Cyclopropyl-2H-pyrazole-3-carbonyl)-amino]-phenyl}-3-piperazin-1-yl-propylamino)-quinazoline-8-carboxylic acid amide
CID 66762026
3-[[4-amino-2-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyrimido[5,4-d]pyrimidin-8-yl]amino]-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 68035535
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172442557
5-[4-[4-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172468396
N-(3-fluorophenyl)-2-[3-[[7-[4-(piperazine-1-carbonyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide
CID 44218174
N-(3-fluorophenyl)-2-(3-(7-(4-(4-(2-hydroxyethyl)piperazine-1-carbonyl)phenyl)quinazolin-4-ylamino)-1H-pyrazol-5-yl)acetamide
CID 44218175
N-(3-fluorophenyl)-2-[3-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide
CID 44218176
N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide
CID 58293226
N-(3,5-difluorophenyl)-2-[3-[[7-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide
CID 58293228

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide (CID 159054041) is N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide is O=C(Cc1cc(Nc2ncnc3cc(-c4ccc(C(=O)N5CCN(C(=O)NC6CC6)CC5)cc4)ccc23)n[nH]1)Nc1cccc(F)c1.O=C(Cc1cc(Nc2ncnc3cc(-c4ccc(C(=O)N5CCN(C(=O)NCC6CC6)CC5)cc4)ccc23)n[nH]1)Nc1cccc(F)c1.
What is the InChIKey of N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide?
The InChIKey is JXQDBHHFOHGANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN9O3.C34H32FN9O3/c36-26-2-1-3-27(17-26)40-32(46)19-28-18-31(43-42-28)41-33-29-11-10-25(16-30(29)38-21-39-33)23-6-8-24(9-7-23)34(47)44-12-14-45(15-13-44)35(48)37-20-22-4-5-22;35-24-2-1-3-26(17-24)38-31(45)19-27-18-30(42-41-27)40-32-28-11-8-23(16-29(28)36-20-37-32)21-4-6-22(7-5-21)33(46)43-12-14-44(15-13-43)34(47)39-25-9-10-25/h1-3,6-11,16-18,21-22H,4-5,12-15,19-20H2,(H,37,48)(H,40,46)(H2,38,39,41,42,43);1-8,11,16-18,20,25H,9-10,12-15,19H2,(H,38,45)(H,39,47)(H2,36,37,40,41,42).
What are the key properties of N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide?
N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide has a molecular weight of 1281.40 g/mol, XLogP of 9.67, 17 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-[4-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 159054041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).