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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C124H127F3N32O8S4 — CID 158495185

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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158495185) has the molecular formula C124H127F3N32O8S4 and a molecular weight of 2378.86 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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158495185
• Molecular Formula: C124H127F3N32O8S4
• Molecular Weight: 2378.86 g/mol
• Exact Mass: 2376.93
• 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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(-c2nncs2)cnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(C2CCOCC2)ncc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(-c2nccs2)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.C32H29N7O2S2.C31H32N8O2S.C27H24F3N9OS/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;1-19-3-10-28(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;1-19-14-27(20-7-11-41-12-8-20)34-18-26(19)25-15-21-16-35-30(38-28(21)39(29(25)40)31-33-10-13-42-31)37-23-4-2-22(3-5-23)36-24-6-9-32-17-24;1-16-10-18(24-37-34-15-41-24)13-32-22(16)21-11-17-12-33-26(36-23(17)39(25(21)40)14-27(28,29)30)35-19-2-4-20(5-3-19)38-8-6-31-7-9-38/h5-8,16-18,23,25,29,35H,3-4,9-15,19-21H2,1-2H3,(H,37,38,40);3-10,13-16,24,33H,11-12,17-18H2,1-2H3,(H,35,37,38);2-5,10,13-16,18,20,24,32,36H,6-9,11-12,17H2,1H3,(H,35,37,38);2-5,10-13,15,31H,6-9,14H2,1H3,(H,33,35,36)
• InChIKey: HJERBCWFPQZHLJ-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 458.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 28
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.86
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 158495185) 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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2nncs2)cnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(C2CCOCC2)ncc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(-c2nccs2)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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HJERBCWFPQZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N8O3.C32H29N7O2S2.C31H32N8O2S.C27H24F3N9OS/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;1-19-3-10-28(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;1-19-14-27(20-7-11-41-12-8-20)34-18-26(19)25-15-21-16-35-30(38-28(21)39(29(25)40)31-33-10-13-42-31)37-23-4-2-22(3-5-23)36-24-6-9-32-17-24;1-16-10-18(24-37-34-15-41-24)13-32-22(16)21-11-17-12-33-26(36-23(17)39(25(21)40)14-27(28,29)30)35-19-2-4-20(5-3-19)38-8-6-31-7-9-38/h5-8,16-18,23,25,29,35H,3-4,9-15,19-21H2,1-2H3,(H,37,38,40);3-10,13-16,24,33H,11-12,17-18H2,1-2H3,(H,35,37,38);2-5,10,13-16,18,20,24,32,36H,6-9,11-12,17H2,1H3,(H,35,37,38);2-5,10-13,15,31H,6-9,14H2,1H3,(H,33,35,36).

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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2378.86 g/mol, XLogP of 19.80, 28 rotatable bonds, 9 hydrogen bond donors, and 44 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-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158495185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).