6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C102H120F4N22O8S2 — CID 161209714

About 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161209714) has the molecular formula C102H120F4N22O8S2 and a molecular weight of 1922.35 g/mol. Its IUPAC name is 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161209714
• Molecular Formula: C102H120F4N22O8S2
• Molecular Weight: 1922.35 g/mol
• Exact Mass: 1920.90
• IUPAC Name: 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.CN1CCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCNC6)cc5)nc4n(CCN4CCOCC4)c3=O)c(F)c2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C2CCNCC2)c1.Cc1sc(C2CCCNC2)nc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O
• InChI: InChI=1S/C37H37F3N6O2.C34H41FN8O2.C30H38N8O4S2.CH4/c1-23-6-11-29(30(18-23)24-12-14-41-15-13-24)31-19-27-20-43-36(44-28-9-7-25(8-10-28)33-21-42-16-17-48-33)45-34(27)46(35(31)47)22-26-4-2-3-5-32(26)37(38,39)40;1-41-11-9-24(22-41)23-2-7-29(31(35)19-23)30-18-25-20-37-34(39-27-5-3-26(4-6-27)38-28-8-10-36-21-28)40-32(25)43(33(30)44)13-12-42-14-16-45-17-15-42;1-19-26(35-28(43-19)20-5-4-11-31-16-20)25-15-21-17-33-30(34-22-6-8-23(9-7-22)42-24-10-12-32-18-24)36-27(21)38(29(25)39)14-13-37(2)44(3,40)41;/h2-11,18-20,24,33,41-42H,12-17,21-22H2,1H3,(H,43,44,45);2-7,18-20,24,28,36,38H,8-17,21-22H2,1H3,(H,37,39,40);6-9,15,17,20,24,31-32H,4-5,10-14,16,18H2,1-3H3,(H,33,34,36);1H4
• InChIKey: UWBOVRPKRDLKAW-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 336.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.35
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;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 161209714) is 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is C.CN1CCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCNC6)cc5)nc4n(CCN4CCOCC4)c3=O)c(F)c2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C2CCNCC2)c1.Cc1sc(C2CCCNC2)nc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O.

What is the InChIKey of 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UWBOVRPKRDLKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F3N6O2.C34H41FN8O2.C30H38N8O4S2.CH4/c1-23-6-11-29(30(18-23)24-12-14-41-15-13-24)31-19-27-20-43-36(44-28-9-7-25(8-10-28)33-21-42-16-17-48-33)45-34(27)46(35(31)47)22-26-4-2-3-5-32(26)37(38,39)40;1-41-11-9-24(22-41)23-2-7-29(31(35)19-23)30-18-25-20-37-34(39-27-5-3-26(4-6-27)38-28-8-10-36-21-28)40-32(25)43(33(30)44)13-12-42-14-16-45-17-15-42;1-19-26(35-28(43-19)20-5-4-11-31-16-20)25-15-21-17-33-30(34-22-6-8-23(9-7-22)42-24-10-12-32-18-24)36-27(21)38(29(25)39)14-13-37(2)44(3,40)41;/h2-11,18-20,24,33,41-42H,12-17,21-22H2,1H3,(H,43,44,45);2-7,18-20,24,28,36,38H,8-17,21-22H2,1H3,(H,37,39,40);6-9,15,17,20,24,31-32H,4-5,10-14,16,18H2,1-3H3,(H,33,34,36);1H4.

What are the key properties of 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1922.35 g/mol, XLogP of 14.27, 26 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161209714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).