8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

C96H101Cl2F3N18O10S — CID 158541835

IUPAC8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCN(S(C)(=O)=O)CC6)cc5C(F)(F)F)c(=O)n(CC5CC5)c4n3)cc2)C1.O=c1c(-c2c(Cl)cc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1C1CCCC1.O=c1c(-c2nccn2-c2ccoc2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1C1CCOC1
InChIInChI=1S/C35H39F3N6O4S.C32H33Cl2N5O2.C29H29N7O4/c1-42-15-16-48-31(21-42)24-5-8-27(9-6-24)40-34-39-19-26-17-29(33(45)44(32(26)41-34)20-22-3-4-22)28-10-7-25(18-30(28)35(36,37)38)23-11-13-43(14-12-23)49(2,46)47;33-27-15-20(19-7-8-19)16-28(34)29(27)26-14-21-17-36-32(38-30(21)39(31(26)40)23-4-1-2-5-23)37-22-9-11-24(12-10-22)41-25-6-3-13-35-18-25;37-28-25(27-31-11-12-35(27)21-7-13-38-17-21)15-19-16-32-29(34-26(19)36(28)22-8-14-39-18-22)33-20-1-3-23(4-2-20)40-24-5-9-30-10-6-24/h5-10,17-19,22-23,31H,3-4,11-16,20-21H2,1-2H3,(H,39,40,41);9-12,14-17,19,23,25,35H,1-8,13,18H2,(H,36,37,38);1-4,7,11-13,15-17,22,24,30H,5-6,8-10,14,18H2,(H,32,33,34)
InChIKeyHOPPKJFPUXGECY-UHFFFAOYSA-N
MW1826.95 g/mol
LogP17.48
Rot. Bonds22

About 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158541835) has the molecular formula C96H101Cl2F3N18O10S and a molecular weight of 1826.95 g/mol. Its IUPAC name is 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID158541835
Molecular FormulaC96H101Cl2F3N18O10S
Molecular Weight1826.95 g/mol
Exact Mass1824.70
IUPAC Name8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCN(S(C)(=O)=O)CC6)cc5C(F)(F)F)c(=O)n(CC5CC5)c4n3)cc2)C1.O=c1c(-c2c(Cl)cc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1C1CCCC1.O=c1c(-c2nccn2-c2ccoc2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1C1CCOC1
InChIInChI=1S/C35H39F3N6O4S.C32H33Cl2N5O2.C29H29N7O4/c1-42-15-16-48-31(21-42)24-5-8-27(9-6-24)40-34-39-19-26-17-29(33(45)44(32(26)41-34)20-22-3-4-22)28-10-7-25(18-30(28)35(36,37)38)23-11-13-43(14-12-23)49(2,46)47;33-27-15-20(19-7-8-19)16-28(34)29(27)26-14-21-17-36-32(38-30(21)39(31(26)40)23-4-1-2-5-23)37-22-9-11-24(12-10-22)41-25-6-3-13-35-18-25;37-28-25(27-31-11-12-35(27)21-7-13-38-17-21)15-19-16-32-29(34-26(19)36(28)22-8-14-39-18-22)33-20-1-3-23(4-2-20)40-24-5-9-30-10-6-24/h5-10,17-19,22-23,31H,3-4,11-16,20-21H2,1-2H3,(H,39,40,41);9-12,14-17,19,23,25,35H,1-8,13,18H2,(H,36,37,38);1-4,7,11-13,15-17,22,24,30H,5-6,8-10,14,18H2,(H,32,33,34)
InChIKeyHOPPKJFPUXGECY-UHFFFAOYSA-N
XLogP17.48
TPSA311.99 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.95
LogP ≤ 517.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(2-Chloro-4-pyrazin-2-ylphenyl)-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-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 157100672
6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
CID 157758793
6-(2-Chloro-4-pyridin-3-ylphenyl)-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfanylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[2-(3-methylimidazol-4-yl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 157765477
6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(1-acetylpiperidin-3-yl)-1H-imidazol-3-ium-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;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;8-[1-[dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]-6-[4-[1-[dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one
CID 158114185
6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158266415
6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane
CID 158493581
6-[5-(1-Acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate
CID 158501823
8-Cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[4-[1-[dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 159058460
6-[2-Chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159872181
2-(3-chloro-4-piperazin-1-ylanilino)-6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
CID 160198748
6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methyl-3H-pyrrol-1-ium-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 160666310
6-[2-Chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161626208

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158541835) is 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is CN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCN(S(C)(=O)=O)CC6)cc5C(F)(F)F)c(=O)n(CC5CC5)c4n3)cc2)C1.O=c1c(-c2c(Cl)cc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1C1CCCC1.O=c1c(-c2nccn2-c2ccoc2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1C1CCOC1.
What is the InChIKey of 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HOPPKJFPUXGECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39F3N6O4S.C32H33Cl2N5O2.C29H29N7O4/c1-42-15-16-48-31(21-42)24-5-8-27(9-6-24)40-34-39-19-26-17-29(33(45)44(32(26)41-34)20-22-3-4-22)28-10-7-25(18-30(28)35(36,37)38)23-11-13-43(14-12-23)49(2,46)47;33-27-15-20(19-7-8-19)16-28(34)29(27)26-14-21-17-36-32(38-30(21)39(31(26)40)23-4-1-2-5-23)37-22-9-11-24(12-10-22)41-25-6-3-13-35-18-25;37-28-25(27-31-11-12-35(27)21-7-13-38-17-21)15-19-16-32-29(34-26(19)36(28)22-8-14-39-18-22)33-20-1-3-23(4-2-20)40-24-5-9-30-10-6-24/h5-10,17-19,22-23,31H,3-4,11-16,20-21H2,1-2H3,(H,39,40,41);9-12,14-17,19,23,25,35H,1-8,13,18H2,(H,36,37,38);1-4,7,11-13,15-17,22,24,30H,5-6,8-10,14,18H2,(H,32,33,34).
What are the key properties of 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1826.95 g/mol, XLogP of 17.48, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158541835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).