2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide

C120H118ClF3N28O10 — CID 162153483

IUPAC2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1c(F)c(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3cn[nH]n3)ccc12.CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccc4ncnn4c3)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CC[C@@H](F)c1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C25H22N6O2.C24H23ClFN5O.C24H26N6O3.C24H26N6O2.C23H21F2N5O2/c1-3-33-23-12-21(18-8-9-26-16(2)10-18)30-22-11-19(5-6-20(22)23)25(32)27-13-17-4-7-24-28-15-29-31(24)14-17;1-2-19(26)22-18-10-7-16(24(32)29-11-3-4-21-27-12-13-28-21)14-20(18)30-23(31-22)15-5-8-17(25)9-6-15;1-4-33-22-14-20(16-9-11-25-23(13-16)32-3)27-21-12-17(7-8-18(21)22)24(31)26-10-5-6-19-15(2)28-30-29-19;1-4-32-23-14-21(17-9-11-25-15(2)12-17)27-22-13-18(7-8-19(22)23)24(31)26-10-5-6-20-16(3)28-30-29-20;1-2-32-22-18-10-7-15(23(31)26-11-3-4-17-13-27-30-29-17)12-19(18)28-21(20(22)25)14-5-8-16(24)9-6-14/h4-12,14-15H,3,13H2,1-2H3,(H,27,32);5-10,12-14,19H,2-4,11H2,1H3,(H,27,28)(H,29,32);7-9,11-14H,4-6,10H2,1-3H3,(H,26,31)(H,28,29,30);7-9,11-14H,4-6,10H2,1-3H3,(H,26,31)(H,28,29,30);5-10,12-13H,2-4,11H2,1H3,(H,26,31)(H,27,29,30)/t;19-;;;/m.1.../s1
InChIKeyZLNFFQGPCXCIRX-HHZPVKHOSA-N
MW2204.90 g/mol
LogP20.78
Rot. Bonds39

About 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide

2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide (PubChem CID 162153483) has the molecular formula C120H118ClF3N28O10 and a molecular weight of 2204.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
PubChem CID162153483
Molecular FormulaC120H118ClF3N28O10
Molecular Weight2204.90 g/mol
Exact Mass2202.92
IUPAC Name2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1c(F)c(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3cn[nH]n3)ccc12.CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccc4ncnn4c3)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CC[C@@H](F)c1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C25H22N6O2.C24H23ClFN5O.C24H26N6O3.C24H26N6O2.C23H21F2N5O2/c1-3-33-23-12-21(18-8-9-26-16(2)10-18)30-22-11-19(5-6-20(22)23)25(32)27-13-17-4-7-24-28-15-29-31(24)14-17;1-2-19(26)22-18-10-7-16(24(32)29-11-3-4-21-27-12-13-28-21)14-20(18)30-23(31-22)15-5-8-17(25)9-6-15;1-4-33-22-14-20(16-9-11-25-23(13-16)32-3)27-21-12-17(7-8-18(21)22)24(31)26-10-5-6-19-15(2)28-30-29-19;1-4-32-23-14-21(17-9-11-25-15(2)12-17)27-22-13-18(7-8-19(22)23)24(31)26-10-5-6-20-16(3)28-30-29-20;1-2-32-22-18-10-7-15(23(31)26-11-3-4-17-13-27-30-29-17)12-19(18)28-21(20(22)25)14-5-8-16(24)9-6-14/h4-12,14-15H,3,13H2,1-2H3,(H,27,32);5-10,12-14,19H,2-4,11H2,1H3,(H,27,28)(H,29,32);7-9,11-14H,4-6,10H2,1-3H3,(H,26,31)(H,28,29,30);7-9,11-14H,4-6,10H2,1-3H3,(H,26,31)(H,28,29,30);5-10,12-13H,2-4,11H2,1H3,(H,26,31)(H,27,29,30)/t;19-;;;/m.1.../s1
InChIKeyZLNFFQGPCXCIRX-HHZPVKHOSA-N
XLogP20.78
TPSA491.24 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002204.90
LogP ≤ 520.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide with MolForge

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Related Compounds

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;[5-chloro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-6-methoxy-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 157211173
N-[4-(4-bromophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-(4-quinolin-2-yloxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-(4-quinolin-2-yloxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157224875
N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157273992
2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole
CID 157289352
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-benzylpyrazol-4-yl)-6-fluoroquinoline-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(5-methyl-2-pyridinyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 157608478
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 157988270
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158066669
(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[6-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158090035
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 158183431
2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 158296992
4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 158390937

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide (CID 162153483) is 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide is CCOc1c(F)c(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3cn[nH]n3)ccc12.CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccc4ncnn4c3)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CC[C@@H](F)c1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
The InChIKey is ZLNFFQGPCXCIRX-HHZPVKHOSA-N. The full InChI is InChI=1S/C25H22N6O2.C24H23ClFN5O.C24H26N6O3.C24H26N6O2.C23H21F2N5O2/c1-3-33-23-12-21(18-8-9-26-16(2)10-18)30-22-11-19(5-6-20(22)23)25(32)27-13-17-4-7-24-28-15-29-31(24)14-17;1-2-19(26)22-18-10-7-16(24(32)29-11-3-4-21-27-12-13-28-21)14-20(18)30-23(31-22)15-5-8-17(25)9-6-15;1-4-33-22-14-20(16-9-11-25-23(13-16)32-3)27-21-12-17(7-8-18(21)22)24(31)26-10-5-6-19-15(2)28-30-29-19;1-4-32-23-14-21(17-9-11-25-15(2)12-17)27-22-13-18(7-8-19(22)23)24(31)26-10-5-6-20-16(3)28-30-29-20;1-2-32-22-18-10-7-15(23(31)26-11-3-4-17-13-27-30-29-17)12-19(18)28-21(20(22)25)14-5-8-16(24)9-6-14/h4-12,14-15H,3,13H2,1-2H3,(H,27,32);5-10,12-14,19H,2-4,11H2,1H3,(H,27,28)(H,29,32);7-9,11-14H,4-6,10H2,1-3H3,(H,26,31)(H,28,29,30);7-9,11-14H,4-6,10H2,1-3H3,(H,26,31)(H,28,29,30);5-10,12-13H,2-4,11H2,1H3,(H,26,31)(H,27,29,30)/t;19-;;;/m.1.../s1.
What are the key properties of 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide has a molecular weight of 2204.90 g/mol, XLogP of 20.78, 39 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 162153483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).