6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C136H138ClN29O11S2 — CID 160947406

IUPAC6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2cnccc2-c2nccs2)c1=O)C1CCOCC1.CN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccoc2C2CCNC2)c1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(Cc3ccncc3C3CCOCC3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2cnnn2-c2ccncc2)c1=O
InChIInChI=1S/C35H35ClN6O2S.C34H35N7O3S.C34H37N7O3.C33H31N9O3/c1-22-2-7-28(31(36)16-22)29-17-26-18-39-35(40-27-5-3-24(4-6-27)32-20-38-12-15-45-32)41-33(26)42(34(29)43)21-25-8-11-37-19-30(25)23-9-13-44-14-10-23;1-22(23-9-14-43-15-10-23)30-17-24-19-37-34(38-26-3-5-27(6-4-26)44-28-8-13-40(2)21-28)39-31(24)41(33(30)42)20-25-18-35-11-7-29(25)32-36-12-16-45-32;1-40(27-6-3-2-4-7-27)30-18-25-20-37-34(38-26-9-11-28(12-10-26)44-29-8-5-15-35-21-29)39-32(25)41(33(30)42)22-24-14-17-43-31(24)23-13-16-36-19-23;1-22-4-2-3-5-29(22)45-30-18-23-19-36-33(38-24-6-8-27(9-7-24)44-28-12-16-35-17-13-28)39-31(23)41(32(30)43)21-26-20-37-40-42(26)25-10-14-34-15-11-25/h2-8,11,16-19,23,32,38H,9-10,12-15,20-21H2,1H3,(H,39,40,41);3-7,11-12,16-19,23,28H,1,8-10,13-15,20-21H2,2H3,(H,37,38,39);2-4,6-7,9-12,14,17-18,20,23,29,35-36H,5,8,13,15-16,19,21-22H2,1H3,(H,37,38,39);2-11,14-15,18-20,28,35H,12-13,16-17,21H2,1H3,(H,36,38,39)
InChIKeySVHKNUQGELJMFJ-UHFFFAOYSA-N
MW2454.38 g/mol
LogP22.45
Rot. Bonds34

About 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160947406) has the molecular formula C136H138ClN29O11S2 and a molecular weight of 2454.38 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID160947406
Molecular FormulaC136H138ClN29O11S2
Molecular Weight2454.38 g/mol
Exact Mass2452.03
IUPAC Name6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2cnccc2-c2nccs2)c1=O)C1CCOCC1.CN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccoc2C2CCNC2)c1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(Cc3ccncc3C3CCOCC3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2cnnn2-c2ccncc2)c1=O
InChIInChI=1S/C35H35ClN6O2S.C34H35N7O3S.C34H37N7O3.C33H31N9O3/c1-22-2-7-28(31(36)16-22)29-17-26-18-39-35(40-27-5-3-24(4-6-27)32-20-38-12-15-45-32)41-33(26)42(34(29)43)21-25-8-11-37-19-30(25)23-9-13-44-14-10-23;1-22(23-9-14-43-15-10-23)30-17-24-19-37-34(38-26-3-5-27(6-4-26)44-28-8-13-40(2)21-28)39-31(24)41(33(30)42)20-25-18-35-11-7-29(25)32-36-12-16-45-32;1-40(27-6-3-2-4-7-27)30-18-25-20-37-34(38-26-9-11-28(12-10-26)44-29-8-5-15-35-21-29)39-32(25)41(33(30)42)22-24-14-17-43-31(24)23-13-16-36-19-23;1-22-4-2-3-5-29(22)45-30-18-23-19-36-33(38-24-6-8-27(9-7-24)44-28-12-16-35-17-13-28)39-31(23)41(32(30)43)21-26-20-37-40-42(26)25-10-14-34-15-11-25/h2-8,11,16-19,23,32,38H,9-10,12-15,20-21H2,1H3,(H,39,40,41);3-7,11-12,16-19,23,28H,1,8-10,13-15,20-21H2,2H3,(H,37,38,39);2-4,6-7,9-12,14,17-18,20,23,29,35-36H,5,8,13,15-16,19,21-22H2,1H3,(H,37,38,39);2-11,14-15,18-20,28,35H,12-13,16-17,21H2,1H3,(H,36,38,39)
InChIKeySVHKNUQGELJMFJ-UHFFFAOYSA-N
XLogP22.45
TPSA444.63 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002454.38
LogP ≤ 522.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-bromo-8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-[[1-methyl-5-(1,3-thiazol-2-yl)triazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161069925
8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)-2-pyridinyl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(4-pyridin-3-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159830137
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-(2-methylcyclopenten-1-yl)-8-[(4-pyrrolidin-3-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-bromo-8-[(2-cyclopropylfuran-3-yl)methyl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-8-[[3-(cyclopenten-1-yl)triazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158696120
2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
CID 162091948
8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 159123895
6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 160675506
8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]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;dihydrate
CID 162151087
8-[[3-(benzenesulfinyl)thiophen-2-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentylsulfinyl-1-methyltriazol-4-yl)methyl]-6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-[2-(dimethylamino)ethylsulfonyl]thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-ylsulfonyl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 161320151
6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934377
2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)-6-(6-pyridin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
CID 71249790
6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)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-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 160723095
6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[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;methane
CID 162249893

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 160947406) is 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2cnccc2-c2nccs2)c1=O)C1CCOCC1.CN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccoc2C2CCNC2)c1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(Cc3ccncc3C3CCOCC3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2cnnn2-c2ccncc2)c1=O.
What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SVHKNUQGELJMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClN6O2S.C34H35N7O3S.C34H37N7O3.C33H31N9O3/c1-22-2-7-28(31(36)16-22)29-17-26-18-39-35(40-27-5-3-24(4-6-27)32-20-38-12-15-45-32)41-33(26)42(34(29)43)21-25-8-11-37-19-30(25)23-9-13-44-14-10-23;1-22(23-9-14-43-15-10-23)30-17-24-19-37-34(38-26-3-5-27(6-4-26)44-28-8-13-40(2)21-28)39-31(24)41(33(30)42)20-25-18-35-11-7-29(25)32-36-12-16-45-32;1-40(27-6-3-2-4-7-27)30-18-25-20-37-34(38-26-9-11-28(12-10-26)44-29-8-5-15-35-21-29)39-32(25)41(33(30)42)22-24-14-17-43-31(24)23-13-16-36-19-23;1-22-4-2-3-5-29(22)45-30-18-23-19-36-33(38-24-6-8-27(9-7-24)44-28-12-16-35-17-13-28)39-31(23)41(32(30)43)21-26-20-37-40-42(26)25-10-14-34-15-11-25/h2-8,11,16-19,23,32,38H,9-10,12-15,20-21H2,1H3,(H,39,40,41);3-7,11-12,16-19,23,28H,1,8-10,13-15,20-21H2,2H3,(H,37,38,39);2-4,6-7,9-12,14,17-18,20,23,29,35-36H,5,8,13,15-16,19,21-22H2,1H3,(H,37,38,39);2-11,14-15,18-20,28,35H,12-13,16-17,21H2,1H3,(H,36,38,39).
What are the key properties of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2454.38 g/mol, XLogP of 22.45, 34 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160947406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).