6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C132H144F3N27O7S2 — CID 160979486

About 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160979486) has the molecular formula C132H144F3N27O7S2 and a molecular weight of 2341.91 g/mol. Its IUPAC name is 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160979486
• Molecular Formula: C132H144F3N27O7S2
• Molecular Weight: 2341.91 g/mol
• Exact Mass: 2340.11
• IUPAC Name: 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.CC1NC(c2ccncc2)=CC=C1c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(-c2nccs2)c1=O.Cc1cc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O.Cc1cc(C2CCCN2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CC(F)(F)F)c1=O
• InChI: InChI=1S/C36H41N7O2.C34H37N7OS.C31H31N7O2S.C30H31F3N6O2.CH4/c1-24-31(7-8-33(39-24)28-9-15-37-16-10-28)32-21-29-22-38-36(41-34(29)43(35(32)44)23-25-13-19-45-20-14-25)40-30-5-3-26(4-6-30)27-11-17-42(2)18-12-27;1-22-16-30(24-6-3-4-7-24)36-19-29(22)28-17-26-18-37-34(39-32(26)41(33(28)42)21-31-35-13-15-43-31)38-27-11-9-23(10-12-27)25-8-5-14-40(2)20-25;1-19-14-22(20-4-2-3-5-20)16-34-27(19)25-15-23-17-35-30(37-28(23)38(29(25)39)31-33-11-13-41-31)36-24-8-6-21(7-9-24)26-18-32-10-12-40-26;1-18-13-19(26-3-2-11-35-26)4-9-24(18)25-14-20-15-36-29(38-27(20)39(28(25)40)17-30(31,32)33)37-21-5-7-22(8-6-21)41-23-10-12-34-16-23;/h3-10,15-16,21-22,24-25,27,39H,11-14,17-20,23H2,1-2H3,(H,38,40,41);9-13,15-19,24-25H,3-8,14,20-21H2,1-2H3,(H,37,38,39);6-9,11,13-17,20,26,32H,2-5,10,12,18H2,1H3,(H,35,36,37);4-9,13-15,23,26,34-35H,2-3,10-12,16-17H2,1H3,(H,36,37,38);1H4
• InChIKey: SZIATKBRXYDFEG-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 385.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2341.91
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 160979486) is 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is C.CC1NC(c2ccncc2)=CC=C1c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(-c2nccs2)c1=O.Cc1cc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O.Cc1cc(C2CCCN2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CC(F)(F)F)c1=O.

What is the InChIKey of 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SZIATKBRXYDFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N7O2.C34H37N7OS.C31H31N7O2S.C30H31F3N6O2.CH4/c1-24-31(7-8-33(39-24)28-9-15-37-16-10-28)32-21-29-22-38-36(41-34(29)43(35(32)44)23-25-13-19-45-20-14-25)40-30-5-3-26(4-6-30)27-11-17-42(2)18-12-27;1-22-16-30(24-6-3-4-7-24)36-19-29(22)28-17-26-18-37-34(39-32(26)41(33(28)42)21-31-35-13-15-43-31)38-27-11-9-23(10-12-27)25-8-5-14-40(2)20-25;1-19-14-22(20-4-2-3-5-20)16-34-27(19)25-15-23-17-35-30(37-28(23)38(29(25)39)31-33-11-13-41-31)36-24-8-6-21(7-9-24)26-18-32-10-12-40-26;1-18-13-19(26-3-2-11-35-26)4-9-24(18)25-14-20-15-36-29(38-27(20)39(28(25)40)17-30(31,32)33)37-21-5-7-22(8-6-21)41-23-10-12-34-16-23;/h3-10,15-16,21-22,24-25,27,39H,11-14,17-20,23H2,1-2H3,(H,38,40,41);9-13,15-19,24-25H,3-8,14,20-21H2,1-2H3,(H,37,38,39);6-9,11,13-17,20,26,32H,2-5,10,12,18H2,1H3,(H,35,36,37);4-9,13-15,23,26,34-35H,2-3,10-12,16-17H2,1H3,(H,36,37,38);1H4.

What are the key properties of 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2341.91 g/mol, XLogP of 24.00, 27 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160979486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).