8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

C130H152F4N30O9S3 — CID 157121912

About 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157121912) has the molecular formula C130H152F4N30O9S3 and a molecular weight of 2451.04 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157121912
• Molecular Formula: C130H152F4N30O9S3
• Molecular Weight: 2451.04 g/mol
• Exact Mass: 2449.15
• IUPAC Name: 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.C.C.C.CN(C)CCn1c(=O)c(-c2ccc(C3CCOCC3)cc2F)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.Cc1ccc(-n2nc(C)c(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(-c4ccccc4)c3=O)c2C)s1.Cc1nc(-c2nncs2)ncc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2CCOC2)c1=O.Cc1sc(C2CCCN(C)C2)nc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O
• InChI: InChI=1S/C34H33N7O2S.C33H39FN6O3.C30H34F3N7O2S.C29H30N10O2S.4CH4/c1-21-11-16-30(44-21)41-23(3)31(22(2)39-41)29-18-24-19-36-34(38-32(24)40(33(29)42)26-8-5-4-6-9-26)37-25-12-14-27(15-13-25)43-28-10-7-17-35-20-28;1-38(2)12-13-40-31-25(18-28(32(40)41)27-9-6-24(19-29(27)34)22-10-15-42-16-11-22)20-35-33(37-31)36-26-7-4-23(5-8-26)30-21-39(3)14-17-43-30;1-18-25(37-27(43-18)19-4-3-13-39(2)16-19)24-14-20-15-35-29(38-26(20)40(28(24)41)17-30(31,32)33)36-21-5-7-22(8-6-21)42-23-9-11-34-12-10-23;1-17-24(13-30-25(33-17)27-37-32-16-42-27)23-11-18-12-31-29(36-26(18)39(28(23)40)22-8-10-41-15-22)35-20-5-3-19(4-6-20)34-21-7-9-38(2)14-21;;;;/h4-6,8-9,11-16,18-19,28,35H,7,10,17,20H2,1-3H3,(H,36,37,38);4-9,18-20,22,30H,10-17,21H2,1-3H3,(H,35,36,37);5-8,14-15,19,23,34H,3-4,9-13,16-17H2,1-2H3,(H,35,36,38);3-6,11-13,16,21-22,34H,7-10,14-15H2,1-2H3,(H,31,35,36);4*1H4
• InChIKey: AIBLUWJPGHPQHA-UHFFFAOYSA-N
• XLogP: 23.20
• TPSA: 416.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2451.04
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 157121912) is 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is C.C.C.C.CN(C)CCn1c(=O)c(-c2ccc(C3CCOCC3)cc2F)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.Cc1ccc(-n2nc(C)c(-c3cc4cnc(Nc5ccc(OC6CCCNC6)cc5)nc4n(-c4ccccc4)c3=O)c2C)s1.Cc1nc(-c2nncs2)ncc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2CCOC2)c1=O.Cc1sc(C2CCCN(C)C2)nc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.

What is the InChIKey of 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AIBLUWJPGHPQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N7O2S.C33H39FN6O3.C30H34F3N7O2S.C29H30N10O2S.4CH4/c1-21-11-16-30(44-21)41-23(3)31(22(2)39-41)29-18-24-19-36-34(38-32(24)40(33(29)42)26-8-5-4-6-9-26)37-25-12-14-27(15-13-25)43-28-10-7-17-35-20-28;1-38(2)12-13-40-31-25(18-28(32(40)41)27-9-6-24(19-29(27)34)22-10-15-42-16-11-22)20-35-33(37-31)36-26-7-4-23(5-8-26)30-21-39(3)14-17-43-30;1-18-25(37-27(43-18)19-4-3-13-39(2)16-19)24-14-20-15-35-29(38-26(20)40(28(24)41)17-30(31,32)33)36-21-5-7-22(8-6-21)42-23-9-11-34-12-10-23;1-17-24(13-30-25(33-17)27-37-32-16-42-27)23-11-18-12-31-29(36-26(18)39(28(23)40)22-8-10-41-15-22)35-20-5-3-19(4-6-20)34-21-7-9-38(2)14-21;;;;/h4-6,8-9,11-16,18-19,28,35H,7,10,17,20H2,1-3H3,(H,36,37,38);4-9,18-20,22,30H,10-17,21H2,1-3H3,(H,35,36,37);5-8,14-15,19,23,34H,3-4,9-13,16-17H2,1-2H3,(H,35,36,38);3-6,11-13,16,21-22,34H,7-10,14-15H2,1-2H3,(H,31,35,36);4*1H4.

What are the key properties of 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2451.04 g/mol, XLogP of 23.20, 29 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3,5-dimethyl-1-(5-methylthiophen-2-yl)pyrazol-4-yl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[4-methyl-2-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157121912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).