6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C135H139FN30O7S2 — CID 157067058

About 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157067058) has the molecular formula C135H139FN30O7S2 and a molecular weight of 2376.93 g/mol. Its IUPAC name is 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157067058
• Molecular Formula: C135H139FN30O7S2
• Molecular Weight: 2376.93 g/mol
• Exact Mass: 2375.09
• IUPAC Name: 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1nc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2nccs2)c1=O.Cc1nn(-c2ccccc2)c(C)c1-c1cc2cnc(Nc3ccc(C4=CN(C)CC4)cc3)nc2n(CC(=O)N2CCCC2)c1=O.Cc1sc(-c2ccccn2)nc1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(CCN2CCOCC2)c1=O.O=c1c(-c2ccc(-c3ccncc3)cc2F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1CC1CCOCC1
• InChI: InChI=1S/C35H35FN6O2.C35H36N8O2.C33H36N8O2S.C32H32N8OS/c36-32-20-27(26-9-15-38-16-10-26)3-6-30(32)31-19-28-21-39-35(40-29-4-1-24(2-5-29)25-7-13-37-14-8-25)41-33(28)42(34(31)43)22-23-11-17-44-18-12-23;1-23-32(24(2)43(39-23)29-9-5-4-6-10-29)30-19-27-20-36-35(37-28-13-11-25(12-14-28)26-15-18-40(3)21-26)38-33(27)42(34(30)45)22-31(44)41-16-7-8-17-41;1-22-29(38-31(44-22)28-6-2-3-12-35-28)27-19-25-21-36-33(37-26-9-7-23(8-10-26)24-5-4-11-34-20-24)39-30(25)41(32(27)42)14-13-40-15-17-43-18-16-40;1-20-27(18-35-29(37-20)23-4-2-3-5-23)26-16-24-17-36-32(39-30(24)40(31(26)41)19-28-34-14-15-42-28)38-25-8-6-21(7-9-25)22-10-12-33-13-11-22/h1-6,9-10,15-16,19-21,23,25,37H,7-8,11-14,17-18,22H2,(H,39,40,41);4-6,9-14,19-21H,7-8,15-18,22H2,1-3H3,(H,36,37,38);2-3,6-10,12,19,21,24,34H,4-5,11,13-18,20H2,1H3,(H,36,37,39);6-10,14-18,23,33H,2-5,11-13,19H2,1H3,(H,36,38,39)
• InChIKey: ABZPYCDBGBJCBO-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 415.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.93
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 157067058) is 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2nccs2)c1=O.Cc1nn(-c2ccccc2)c(C)c1-c1cc2cnc(Nc3ccc(C4=CN(C)CC4)cc3)nc2n(CC(=O)N2CCCC2)c1=O.Cc1sc(-c2ccccn2)nc1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(CCN2CCOCC2)c1=O.O=c1c(-c2ccc(-c3ccncc3)cc2F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1CC1CCOCC1.

What is the InChIKey of 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ABZPYCDBGBJCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FN6O2.C35H36N8O2.C33H36N8O2S.C32H32N8OS/c36-32-20-27(26-9-15-38-16-10-26)3-6-30(32)31-19-28-21-39-35(40-29-4-1-24(2-5-29)25-7-13-37-14-8-25)41-33(28)42(34(31)43)22-23-11-17-44-18-12-23;1-23-32(24(2)43(39-23)29-9-5-4-6-10-29)30-19-27-20-36-35(37-28-13-11-25(12-14-28)26-15-18-40(3)21-26)38-33(27)42(34(30)45)22-31(44)41-16-7-8-17-41;1-22-29(38-31(44-22)28-6-2-3-12-35-28)27-19-25-21-36-33(37-26-9-7-23(8-10-26)24-5-4-11-34-20-24)39-30(25)41(32(27)42)14-13-40-15-17-43-18-16-40;1-20-27(18-35-29(37-20)23-4-2-3-5-23)26-16-24-17-36-32(39-30(24)40(31(26)41)19-28-34-14-15-42-28)38-25-8-6-21(7-9-25)22-10-12-33-13-11-22/h1-6,9-10,15-16,19-21,23,25,37H,7-8,11-14,17-18,22H2,(H,39,40,41);4-6,9-14,19-21H,7-8,15-18,22H2,1-3H3,(H,36,37,38);2-3,6-10,12,19,21,24,34H,4-5,11,13-18,20H2,1H3,(H,36,37,39);6-10,14-18,23,33H,2-5,11-13,19H2,1H3,(H,36,38,39).

What are the key properties of 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2376.93 g/mol, XLogP of 22.27, 29 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methyl-2,3-dihydropyrrol-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157067058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).