6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C161H171Cl3F6N34O7S — CID 160953507

IUPAC6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)c(-c2nccn2C2CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2c(Cl)cc(C3CCNC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCN6)cc5C(F)(F)F)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1.O=c1c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1CC1CC1.O=c1c(-c2ncc(C3CCCC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C36H34ClF3N6O.C35H40F3N7O3S.C32H31N7O.C30H32Cl2N6O.C28H34N8O/c37-31-18-26(22-5-1-2-6-22)19-42-32(31)29-17-27-20-43-35(44-28-11-9-23(10-12-28)24-13-15-41-16-14-24)45-33(27)46(34(29)47)21-25-7-3-4-8-30(25)36(38,39)40;1-43-15-11-24(21-43)22-5-8-26(9-6-22)41-34-40-20-25-18-29(28-10-7-23(31-4-3-14-39-31)19-30(28)35(36,37)38)33(46)45(32(25)42-34)27-12-16-44(17-13-27)49(2,47)48;40-31-29(28-4-2-1-3-27(28)22-11-14-33-15-12-22)17-23-18-35-32(38-30(23)39(31)20-21-5-6-21)37-25-9-7-24(8-10-25)36-26-13-16-34-19-26;1-2-38-28-22(12-24(29(38)39)27-25(31)13-21(14-26(27)32)20-9-11-34-16-20)17-35-30(37-28)36-23-7-5-18(6-8-23)19-4-3-10-33-15-19;1-19(2)36-25-20(17-24(27(36)37)26-30-13-16-35(26)23-5-3-4-6-23)18-31-28(33-25)32-21-7-9-22(10-8-21)34-14-11-29-12-15-34/h3-4,7-12,17-20,22,24,41H,1-2,5-6,13-16,21H2,(H,43,44,45);5-10,18-20,24,27,31,39H,3-4,11-17,21H2,1-2H3,(H,40,41,42);1-4,7-12,14-15,17-18,21,26,34,36H,5-6,13,16,19-20H2,(H,35,37,38);5-8,12-14,17,19-20,33-34H,2-4,9-11,15-16H2,1H3,(H,35,36,37);7-10,13,16-19,23,29H,3-6,11-12,14-15H2,1-2H3,(H,31,32,33)
InChIKeySWBPOWLHQTVLAR-UHFFFAOYSA-N
MW2946.78 g/mol
LogP30.13
Rot. Bonds34

About 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160953507) has the molecular formula C161H171Cl3F6N34O7S and a molecular weight of 2946.78 g/mol. Its IUPAC name is 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID160953507
Molecular FormulaC161H171Cl3F6N34O7S
Molecular Weight2946.78 g/mol
Exact Mass2943.28
IUPAC Name6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)c(-c2nccn2C2CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2c(Cl)cc(C3CCNC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCN6)cc5C(F)(F)F)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1.O=c1c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1CC1CC1.O=c1c(-c2ncc(C3CCCC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C36H34ClF3N6O.C35H40F3N7O3S.C32H31N7O.C30H32Cl2N6O.C28H34N8O/c37-31-18-26(22-5-1-2-6-22)19-42-32(31)29-17-27-20-43-35(44-28-11-9-23(10-12-28)24-13-15-41-16-14-24)45-33(27)46(34(29)47)21-25-7-3-4-8-30(25)36(38,39)40;1-43-15-11-24(21-43)22-5-8-26(9-6-22)41-34-40-20-25-18-29(28-10-7-23(31-4-3-14-39-31)19-30(28)35(36,37)38)33(46)45(32(25)42-34)27-12-16-44(17-13-27)49(2,47)48;40-31-29(28-4-2-1-3-27(28)22-11-14-33-15-12-22)17-23-18-35-32(38-30(23)39(31)20-21-5-6-21)37-25-9-7-24(8-10-25)36-26-13-16-34-19-26;1-2-38-28-22(12-24(29(38)39)27-25(31)13-21(14-26(27)32)20-9-11-34-16-20)17-35-30(37-28)36-23-7-5-18(6-8-23)19-4-3-10-33-15-19;1-19(2)36-25-20(17-24(27(36)37)26-30-13-16-35(26)23-5-3-4-6-23)18-31-28(33-25)32-21-7-9-22(10-8-21)34-14-11-29-12-15-34/h3-4,7-12,17-20,22,24,41H,1-2,5-6,13-16,21H2,(H,43,44,45);5-10,18-20,24,27,31,39H,3-4,11-17,21H2,1-2H3,(H,40,41,42);1-4,7-12,14-15,17-18,21,26,34,36H,5-6,13,16,19-20H2,(H,35,37,38);5-8,12-14,17,19-20,33-34H,2-4,9-11,15-16H2,1H3,(H,35,36,37);7-10,13,16-19,23,29H,3-6,11-12,14-15H2,1-2H3,(H,31,32,33)
InChIKeySWBPOWLHQTVLAR-UHFFFAOYSA-N
XLogP30.13
TPSA470.72 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds34
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002946.78
LogP ≤ 530.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 157061107
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(4-methylsulfonylcyclohexyl)-6-(1-thiophen-3-ylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[2-(1,3-thiazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-propan-2-yl-6-[4-(3H-pyrrol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 158276412
8-ethyl-6-[3-methyl-5-(1-methylpyrrolidin-3-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158439992
6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158448613
6-[2-Chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 158561033
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(4-methylsulfonylcyclohexyl)-6-(1-thiophen-3-ylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-ethyl-6-[2-(1,3-thiazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-propan-2-yl-6-[4-(3H-pyrrol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 159698454
6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8H-quinazolin-7-one;6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1,1-difluoroethyl)-4-(2-methyl-2H-pyrrol-4-yl)phenyl]-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylsulfanylpiperidin-4-yl)-3H-pyrrol-5-yl]-8-(oxolan-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 160139382
6-[3-Chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 160442096
6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;hydrate
CID 160588223
6-[2-Chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride
CID 161248250
6-[4-(1-Acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 161306719
6-[2-Chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 161317259

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 160953507) is 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(-c2nccn2C2CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2c(Cl)cc(C3CCNC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCN6)cc5C(F)(F)F)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1.O=c1c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1CC1CC1.O=c1c(-c2ncc(C3CCCC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SWBPOWLHQTVLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34ClF3N6O.C35H40F3N7O3S.C32H31N7O.C30H32Cl2N6O.C28H34N8O/c37-31-18-26(22-5-1-2-6-22)19-42-32(31)29-17-27-20-43-35(44-28-11-9-23(10-12-28)24-13-15-41-16-14-24)45-33(27)46(34(29)47)21-25-7-3-4-8-30(25)36(38,39)40;1-43-15-11-24(21-43)22-5-8-26(9-6-22)41-34-40-20-25-18-29(28-10-7-23(31-4-3-14-39-31)19-30(28)35(36,37)38)33(46)45(32(25)42-34)27-12-16-44(17-13-27)49(2,47)48;40-31-29(28-4-2-1-3-27(28)22-11-14-33-15-12-22)17-23-18-35-32(38-30(23)39(31)20-21-5-6-21)37-25-9-7-24(8-10-25)36-26-13-16-34-19-26;1-2-38-28-22(12-24(29(38)39)27-25(31)13-21(14-26(27)32)20-9-11-34-16-20)17-35-30(37-28)36-23-7-5-18(6-8-23)19-4-3-10-33-15-19;1-19(2)36-25-20(17-24(27(36)37)26-30-13-16-35(26)23-5-3-4-6-23)18-31-28(33-25)32-21-7-9-22(10-8-21)34-14-11-29-12-15-34/h3-4,7-12,17-20,22,24,41H,1-2,5-6,13-16,21H2,(H,43,44,45);5-10,18-20,24,27,31,39H,3-4,11-17,21H2,1-2H3,(H,40,41,42);1-4,7-12,14-15,17-18,21,26,34,36H,5-6,13,16,19-20H2,(H,35,37,38);5-8,12-14,17,19-20,33-34H,2-4,9-11,15-16H2,1H3,(H,35,36,37);7-10,13,16-19,23,29H,3-6,11-12,14-15H2,1-2H3,(H,31,32,33).
What are the key properties of 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2946.78 g/mol, XLogP of 30.13, 34 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160953507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).