7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide

C91H74N20O8S — CID 158121848

IUPAC7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCc1ncc(C#Cc2cccc3nc([C@H](C)NC(=O)c4c(C)ncn5ccnc45)n(-c4ccccc4)c(=O)c23)s1.Cc1nccnc1C(=O)N[C@@H](C)c1nc2cccc(C#CCNC(=O)[C@H]3CCCO3)c2c(=O)n1-c1ccccc1.Cc1ncn2ccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cccnc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C31H23N7O2.C30H23N7O2S.C30H28N6O4/c1-20-26(29-33-16-17-37(29)19-34-20)30(39)35-21(2)28-36-25-12-6-9-23(14-13-22-8-7-15-32-18-22)27(25)31(40)38(28)24-10-4-3-5-11-24;1-18-25(28-31-14-15-36(28)17-33-18)29(38)34-19(2)27-35-24-11-7-8-21(12-13-23-16-32-20(3)40-23)26(24)30(39)37(27)22-9-5-4-6-10-22;1-19-26(32-17-16-31-19)29(38)34-20(2)27-35-23-13-6-9-21(10-7-15-33-28(37)24-14-8-18-40-24)25(23)30(39)36(27)22-11-4-3-5-12-22/h3-12,15-19,21H,1-2H3,(H,35,39);4-11,14-17,19H,1-3H3,(H,34,38);3-6,9,11-13,16-17,20,24H,8,14-15,18H2,1-2H3,(H,33,37)(H,34,38)/t21-;19-;20-,24+/m000/s1
InChIKeyFRRWSEBWQRGKKN-KOQNVOFDSA-N
MW1607.79 g/mol
LogP11.04
Rot. Bonds14

About 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide

7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 158121848) has the molecular formula C91H74N20O8S and a molecular weight of 1607.79 g/mol. Its IUPAC name is 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID158121848
Molecular FormulaC91H74N20O8S
Molecular Weight1607.79 g/mol
Exact Mass1606.57
IUPAC Name7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCc1ncc(C#Cc2cccc3nc([C@H](C)NC(=O)c4c(C)ncn5ccnc45)n(-c4ccccc4)c(=O)c23)s1.Cc1nccnc1C(=O)N[C@@H](C)c1nc2cccc(C#CCNC(=O)[C@H]3CCCO3)c2c(=O)n1-c1ccccc1.Cc1ncn2ccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cccnc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C31H23N7O2.C30H23N7O2S.C30H28N6O4/c1-20-26(29-33-16-17-37(29)19-34-20)30(39)35-21(2)28-36-25-12-6-9-23(14-13-22-8-7-15-32-18-22)27(25)31(40)38(28)24-10-4-3-5-11-24;1-18-25(28-31-14-15-36(28)17-33-18)29(38)34-19(2)27-35-24-11-7-8-21(12-13-23-16-32-20(3)40-23)26(24)30(39)37(27)22-9-5-4-6-10-22;1-19-26(32-17-16-31-19)29(38)34-20(2)27-35-23-13-6-9-21(10-7-15-33-28(37)24-14-8-18-40-24)25(23)30(39)36(27)22-11-4-3-5-12-22/h3-12,15-19,21H,1-2H3,(H,35,39);4-11,14-17,19H,1-3H3,(H,34,38);3-6,9,11-13,16-17,20,24H,8,14-15,18H2,1-2H3,(H,33,37)(H,34,38)/t21-;19-;20-,24+/m000/s1
InChIKeyFRRWSEBWQRGKKN-KOQNVOFDSA-N
XLogP11.04
TPSA342.24 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001607.79
LogP ≤ 511.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-[5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-2-[(1S)-1-(1-pyrazolo[1,5-a]pyrimidin-3-ylethenylamino)ethyl]quinazolin-4-one
CID 157158467
(2R)-N-[(1S)-1-cyclohexyl-2-[(2R)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-5-hydroxy-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]pentanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 158484891
2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
CID 158613636
ethyl 1-[[3-[(3R,4S)-3-hydroxyoxan-4-yl]-4-oxobenzo[h]quinazolin-6-yl]methyl]imidazo[1,5-a]pyridine-3-carboxylate;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-(imidazo[1,2-a]pyridin-5-ylmethyl)benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]benzo[h]quinazolin-4-one;3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(2-oxo-1H-quinolin-4-yl)methyl]benzo[h]quinazolin-4-one
CID 158871666
5-(aminomethyl)-2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-3-phenylquinazolin-4-one;ethyl 2-formyl-1,3-thiazole-4-carboxylate;ethyl 2-[[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]methyl]-1,3-thiazole-4-carboxylate
CID 160000918

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 158121848) is 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide is Cc1ncc(C#Cc2cccc3nc([C@H](C)NC(=O)c4c(C)ncn5ccnc45)n(-c4ccccc4)c(=O)c23)s1.Cc1nccnc1C(=O)N[C@@H](C)c1nc2cccc(C#CCNC(=O)[C@H]3CCCO3)c2c(=O)n1-c1ccccc1.Cc1ncn2ccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cccnc3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is FRRWSEBWQRGKKN-KOQNVOFDSA-N. The full InChI is InChI=1S/C31H23N7O2.C30H23N7O2S.C30H28N6O4/c1-20-26(29-33-16-17-37(29)19-34-20)30(39)35-21(2)28-36-25-12-6-9-23(14-13-22-8-7-15-32-18-22)27(25)31(40)38(28)24-10-4-3-5-11-24;1-18-25(28-31-14-15-36(28)17-33-18)29(38)34-19(2)27-35-24-11-7-8-21(12-13-23-16-32-20(3)40-23)26(24)30(39)37(27)22-9-5-4-6-10-22;1-19-26(32-17-16-31-19)29(38)34-20(2)27-35-23-13-6-9-21(10-7-15-33-28(37)24-14-8-18-40-24)25(23)30(39)36(27)22-11-4-3-5-12-22/h3-12,15-19,21H,1-2H3,(H,35,39);4-11,14-17,19H,1-3H3,(H,34,38);3-6,9,11-13,16-17,20,24H,8,14-15,18H2,1-2H3,(H,33,37)(H,34,38)/t21-;19-;20-,24+/m000/s1.
What are the key properties of 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?
7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 1607.79 g/mol, XLogP of 11.04, 14 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;3-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide;7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(2-pyridin-3-ylethynyl)quinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 158121848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).