N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one

C125H128F3N35O10S3 — CID 160958611

About N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one

N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160958611) has the molecular formula C125H128F3N35O10S3 and a molecular weight of 2433.83 g/mol. Its IUPAC name is N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160958611
• Molecular Formula: C125H128F3N35O10S3
• Molecular Weight: 2433.83 g/mol
• Exact Mass: 2431.97
• IUPAC Name: N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN(CCn1c(=O)c(-c2nc(-c3cccs3)cn2C)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21)S(C)(=O)=O.Cc1c(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)ncn1C1=CCC=N1.O=C(Cn1c(=O)c(-c2cnc(-c3nccs3)nc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc21)N1CCCC1.O=c1c(-c2cnc(C3=CCN=C3)nc2)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n1CCN1CCOCC1
• InChI: InChI=1S/C35H33F3N8O.C31H33N9O3.C30H30N10O2S.C29H32N8O4S2/c1-22-31(41-21-46(22)30-10-5-15-39-30)28-17-26-18-40-34(42-27-13-11-23(12-14-27)24-8-6-16-44(2)19-24)43-32(26)45(33(28)47)20-25-7-3-4-9-29(25)35(36,37)38;41-30-27(23-18-34-28(35-19-23)21-5-7-32-16-21)15-22-17-36-31(38-29(22)40(30)10-9-39-11-13-42-14-12-39)37-24-1-3-25(4-2-24)43-26-6-8-33-20-26;41-25(39-10-1-2-11-39)18-40-27-19(13-24(29(40)42)20-15-33-26(34-16-20)28-32-9-12-43-28)14-35-30(38-27)37-22-5-3-21(4-6-22)36-23-7-8-31-17-23;1-35-18-23(25-5-4-14-42-25)33-27(35)22-15-20-16-31-29(32-21-8-6-19(7-9-21)24-17-30-10-13-41-24)34-26(20)37(28(22)38)12-11-36(2)43(3,39)40/h3-4,7,9-15,17-18,21,24H,5-6,8,16,19-20H2,1-2H3,(H,40,42,43);1-5,15-19,26,33H,6-14,20H2,(H,36,37,38);3-6,9,12-16,23,31,36H,1-2,7-8,10-11,17-18H2,(H,35,37,38);4-9,14-16,18,24,30H,10-13,17H2,1-3H3,(H,31,32,34)
• InChIKey: SWSKFUYJXUZZBD-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 504.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 33
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.83
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one (CID 160958611) is N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one is CN(CCn1c(=O)c(-c2nc(-c3cccs3)cn2C)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21)S(C)(=O)=O.Cc1c(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)ncn1C1=CCC=N1.O=C(Cn1c(=O)c(-c2cnc(-c3nccs3)nc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc21)N1CCCC1.O=c1c(-c2cnc(C3=CCN=C3)nc2)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n1CCN1CCOCC1.

What is the InChIKey of N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SWSKFUYJXUZZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N8O.C31H33N9O3.C30H30N10O2S.C29H32N8O4S2/c1-22-31(41-21-46(22)30-10-5-15-39-30)28-17-26-18-40-34(42-27-13-11-23(12-14-27)24-8-6-16-44(2)19-24)43-32(26)45(33(28)47)20-25-7-3-4-9-29(25)35(36,37)38;41-30-27(23-18-34-28(35-19-23)21-5-7-32-16-21)15-22-17-36-31(38-29(22)40(30)10-9-39-11-13-42-14-12-39)37-24-1-3-25(4-2-24)43-26-6-8-33-20-26;41-25(39-10-1-2-11-39)18-40-27-19(13-24(29(40)42)20-15-33-26(34-16-20)28-32-9-12-43-28)14-35-30(38-27)37-22-5-3-21(4-6-22)36-23-7-8-31-17-23;1-35-18-23(25-5-4-14-42-25)33-27(35)22-15-20-16-31-29(32-21-8-6-19(7-9-21)24-17-30-10-13-41-24)34-26(20)37(28(22)38)12-11-36(2)43(3,39)40/h3-4,7,9-15,17-18,21,24H,5-6,8,16,19-20H2,1-2H3,(H,40,42,43);1-5,15-19,26,33H,6-14,20H2,(H,36,37,38);3-6,9,12-16,23,31,36H,1-2,7-8,10-11,17-18H2,(H,35,37,38);4-9,14-16,18,24,30H,10-13,17H2,1-3H3,(H,31,32,34).

What are the key properties of N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2433.83 g/mol, XLogP of 16.12, 33 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160958611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).