6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C83H92N22O10S4 — CID 159944337

IUPAC6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccn2S(=O)(=O)C(C)C)c1=O)C1CC1.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2ccnn2S(C)(=O)=O)c1=O.O=c1c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1cncn1S(=O)(=O)c1nccs1
InChIInChI=1S/C30H35N7O3S.C28H28N8O3S2.C25H29N7O4S/c1-19(2)41(39,40)37-14-13-32-27(37)18-36-28-24(15-26(29(36)38)20(3)21-6-7-21)17-33-30(35-28)34-25-10-8-22(9-11-25)23-5-4-12-31-16-23;37-26-24(20-1-2-20)13-21-14-32-27(33-22-5-3-18(4-6-22)19-7-9-29-10-8-19)34-25(21)35(26)16-23-15-30-17-36(23)41(38,39)28-31-11-12-40-28;1-4-36-22-13-19-14-26-25(28-20-7-5-17(6-8-20)18-10-12-30(2)15-18)29-23(19)31(24(22)33)16-21-9-11-27-32(21)37(3,34)35/h8-11,13-15,17,19,21,23,31H,3-7,12,16,18H2,1-2H3,(H,33,34,35);3-6,11-15,17,19-20,29H,1-2,7-10,16H2,(H,32,33,34);5-9,11,13-14,18H,4,10,12,15-16H2,1-3H3,(H,26,28,29)
InChIKeyOBHJGHOYZNARCW-UHFFFAOYSA-N
MW1686.06 g/mol
LogP10.48
Rot. Bonds25

About 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159944337) has the molecular formula C83H92N22O10S4 and a molecular weight of 1686.06 g/mol. Its IUPAC name is 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID159944337
Molecular FormulaC83H92N22O10S4
Molecular Weight1686.06 g/mol
Exact Mass1684.62
IUPAC Name6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccn2S(=O)(=O)C(C)C)c1=O)C1CC1.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2ccnn2S(C)(=O)=O)c1=O.O=c1c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1cncn1S(=O)(=O)c1nccs1
InChIInChI=1S/C30H35N7O3S.C28H28N8O3S2.C25H29N7O4S/c1-19(2)41(39,40)37-14-13-32-27(37)18-36-28-24(15-26(29(36)38)20(3)21-6-7-21)17-33-30(35-28)34-25-10-8-22(9-11-25)23-5-4-12-31-16-23;37-26-24(20-1-2-20)13-21-14-32-27(33-22-5-3-18(4-6-22)19-7-9-29-10-8-19)34-25(21)35(26)16-23-15-30-17-36(23)41(38,39)28-31-11-12-40-28;1-4-36-22-13-19-14-26-25(28-20-7-5-17(6-8-20)18-10-12-30(2)15-18)29-23(19)31(24(22)33)16-21-9-11-27-32(21)37(3,34)35/h8-11,13-15,17,19,21,23,31H,3-7,12,16,18H2,1-2H3,(H,33,34,35);3-6,11-15,17,19-20,29H,1-2,7-10,16H2,(H,32,33,34);5-9,11,13-14,18H,4,10,12,15-16H2,1-3H3,(H,26,28,29)
InChIKeyOBHJGHOYZNARCW-UHFFFAOYSA-N
XLogP10.48
TPSA384.73 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.06
LogP ≤ 510.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(1-Cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(2,2,2-trifluoroethylsulfinyl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[(2-pyridin-4-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[5-(1,3-thiazol-2-ylsulfonyl)-1,2-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158441596
8-[[2-(Benzenesulfonyl)pyrazol-3-yl]methyl]-6-cyclopropyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-pyridin-4-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159831098
8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(2S,6R)-2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl]-3-fluoroanilino]-6-(2-methylphenyl)-8-[(3-pyridin-4-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 157138327
8-[[3-(Cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 157447063
8-[[1-(Benzenesulfonyl)imidazol-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylsulfonylimidazol-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-8-[[2-[2-(dimethylamino)ethylsulfonyl]pyrazol-3-yl]methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157883028
8-[[4-(Benzenesulfinyl)-3-pyridinyl]methyl]-6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[3-[2-(dimethylamino)ethylsulfonyl]-4-pyridinyl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-8-[(1-methyl-5-methylsulfinyltriazol-4-yl)methyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158181567
8-[(2-Cyclopentylsulfinyl-6-fluorophenyl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-8-[[1-[2-(dimethylamino)ethylsulfonyl]pyrrol-2-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-8-[[4-(2-methoxyethylsulfonyl)-1,3-thiazol-5-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158385711
6-(4-Cyclopropylsulfonyl-1-methylimidazol-2-yl)-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(5-methyl-1-propan-2-ylsulfonylimidazol-4-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[4-(2-methoxyethylsulfonyl)thiophen-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;hydrate
CID 160121327
6-[5-(cyclopropyl-methylidene-oxo-lambda6-sulfanyl)-1,3-thiazol-2-yl]-8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methyl-methylidene-oxo-lambda6-sulfanyl)thiophen-2-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(1-methylpiperidin-4-yl)sulfonylimidazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(oxan-4-ylsulfinyl)-4H-imidazol-1-ium-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 160538276
8-[[5-(cyclopenten-1-yl)pyridazin-4-yl]methyl]-6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[1-methyl-2-(1,3-thiazol-2-yl)pyrrol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-8-[(2E)-2-[(methylideneamino)-pyrrolidin-3-ylmethylidene]but-3-enyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 160557471
6-[5-(cyclopropyl-methylidene-oxo-lambda6-sulfanyl)-1,3-thiazol-2-yl]-8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methyl-methylidene-oxo-lambda6-sulfanyl)thiophen-2-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(1-methylpiperidin-4-yl)sulfonylimidazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(oxan-4-ylsulfinyl)-4H-imidazol-1-ium-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 160566755
8-[(2-Cyclopentylsulfinyl-6-fluorophenyl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-8-[[1-[2-(dimethylamino)ethylsulfonyl]pyrrol-2-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-8-[[4-(2-methoxyethylsulfonyl)-1,3-thiazol-5-yl]methyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(5-propan-2-ylsulfinyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 161236866

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159944337) is 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccn2S(=O)(=O)C(C)C)c1=O)C1CC1.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2ccnn2S(C)(=O)=O)c1=O.O=c1c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1cncn1S(=O)(=O)c1nccs1.
What is the InChIKey of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OBHJGHOYZNARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O3S.C28H28N8O3S2.C25H29N7O4S/c1-19(2)41(39,40)37-14-13-32-27(37)18-36-28-24(15-26(29(36)38)20(3)21-6-7-21)17-33-30(35-28)34-25-10-8-22(9-11-25)23-5-4-12-31-16-23;37-26-24(20-1-2-20)13-21-14-32-27(33-22-5-3-18(4-6-22)19-7-9-29-10-8-19)34-25(21)35(26)16-23-15-30-17-36(23)41(38,39)28-31-11-12-40-28;1-4-36-22-13-19-14-26-25(28-20-7-5-17(6-8-20)18-10-12-30(2)15-18)29-23(19)31(24(22)33)16-21-9-11-27-32(21)37(3,34)35/h8-11,13-15,17,19,21,23,31H,3-7,12,16,18H2,1-2H3,(H,33,34,35);3-6,11-15,17,19-20,29H,1-2,7-10,16H2,(H,32,33,34);5-9,11,13-14,18H,4,10,12,15-16H2,1-3H3,(H,26,28,29).
What are the key properties of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1686.06 g/mol, XLogP of 10.48, 25 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159944337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).