6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C126H130F3N31O8S3 — CID 159965298

About 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159965298) has the molecular formula C126H130F3N31O8S3 and a molecular weight of 2359.83 g/mol. Its IUPAC name is 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159965298
• Molecular Formula: C126H130F3N31O8S3
• Molecular Weight: 2359.83 g/mol
• Exact Mass: 2357.98
• IUPAC Name: 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(-c2nncs2)cnc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(C2CCOCC2)ncc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2=NC=CC2)c1=O.Cc1ccc(-c2ccc(-c3cc4cnc(Nc5ccc(OC6CCNC6)cc5)nc4n(Cc4nccs4)c3=O)c(C)n2)s1.Cc1cnc(C2CCCN(C)C2)nc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(CC2CCOCC2)c1=O
• InChI: InChI=1S/C34H42N8O3.C32H34N8O2.C32H29N7O2S2.C28H25F3N8OS/c1-22-17-36-31(25-4-3-12-41(2)21-25)39-30(22)28-16-26-18-37-34(38-27-7-5-24(6-8-27)29-19-35-11-15-45-29)40-32(26)42(33(28)43)20-23-9-13-44-14-10-23;1-20-15-28(21-9-13-42-14-10-21)35-19-27(20)26-16-22-17-36-32(39-30(22)40(31(26)41)29-3-2-11-34-29)38-24-6-4-23(5-7-24)37-25-8-12-33-18-25;1-19-3-10-28(43-19)27-9-8-25(20(2)36-27)26-15-21-16-35-32(38-30(21)39(31(26)40)18-29-34-13-14-42-29)37-22-4-6-23(7-5-22)41-24-11-12-33-17-24;1-16-10-20(25-38-35-15-41-25)13-33-23(16)22-11-19-12-34-27(37-24(19)39(26(22)40)14-28(29,30)31)36-21-4-2-17(3-5-21)18-6-8-32-9-7-18/h5-8,16-18,23,25,29,35H,3-4,9-15,19-21H2,1-2H3,(H,37,38,40);2,4-7,11,15-17,19,21,25,33,37H,3,8-10,12-14,18H2,1H3,(H,36,38,39);3-10,13-16,24,33H,11-12,17-18H2,1-2H3,(H,35,37,38);2-5,10-13,15,18,32H,6-9,14H2,1H3,(H,34,36,37)
• InChIKey: ODVWHXWJQITHOP-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 455.03 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2359.83
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 159965298) is 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2nncs2)cnc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(C2CCOCC2)ncc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2=NC=CC2)c1=O.Cc1ccc(-c2ccc(-c3cc4cnc(Nc5ccc(OC6CCNC6)cc5)nc4n(Cc4nccs4)c3=O)c(C)n2)s1.Cc1cnc(C2CCCN(C)C2)nc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(CC2CCOCC2)c1=O.

What is the InChIKey of 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ODVWHXWJQITHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N8O3.C32H34N8O2.C32H29N7O2S2.C28H25F3N8OS/c1-22-17-36-31(25-4-3-12-41(2)21-25)39-30(22)28-16-26-18-37-34(38-27-7-5-24(6-8-27)29-19-35-11-15-45-29)40-32(26)42(33(28)43)20-23-9-13-44-14-10-23;1-20-15-28(21-9-13-42-14-10-21)35-19-27(20)26-16-22-17-36-32(39-30(22)40(31(26)41)29-3-2-11-34-29)38-24-6-4-23(5-7-24)37-25-8-12-33-18-25;1-19-3-10-28(43-19)27-9-8-25(20(2)36-27)26-15-21-16-35-32(38-30(21)39(31(26)40)18-29-34-13-14-42-29)37-22-4-6-23(7-5-22)41-24-11-12-33-17-24;1-16-10-20(25-38-35-15-41-25)13-33-23(16)22-11-19-12-34-27(37-24(19)39(26(22)40)14-28(29,30)31)36-21-4-2-17(3-5-21)18-6-8-32-9-7-18/h5-8,16-18,23,25,29,35H,3-4,9-15,19-21H2,1-2H3,(H,37,38,40);2,4-7,11,15-17,19,21,25,33,37H,3,8-10,12-14,18H2,1H3,(H,36,38,39);3-10,13-16,24,33H,11-12,17-18H2,1-2H3,(H,35,37,38);2-5,10-13,15,18,32H,6-9,14H2,1H3,(H,34,36,37).

What are the key properties of 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2359.83 g/mol, XLogP of 20.58, 27 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159965298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).