6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one

C131H127ClF5N33O7S3 — CID 161057266

About 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161057266) has the molecular formula C131H127ClF5N33O7S3 and a molecular weight of 2502.32 g/mol. Its IUPAC name is 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161057266
• Molecular Formula: C131H127ClF5N33O7S3
• Molecular Weight: 2502.32 g/mol
• Exact Mass: 2499.94
• IUPAC Name: 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)N1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(N5CCNC(C)C5)c(F)c4)nc3n(-c3ccccc3)c2=O)c(C)n1.Cc1nc(C2CC2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(-c2nccs2)c1=O.Cc1sc(C2=CN=CC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(CC(=O)N2CCCC2)c1=O.O=c1c(-c2ccc(-c3ccoc3)cc2F)cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc2n1Cc1nccs1
• InChI: InChI=1S/C37H39FN8O2.C34H30FN7O2S.C32H32F3N9O2S.C28H26ClN9OS/c1-23-22-44(18-16-39-23)33-15-12-27(20-31(33)38)42-37-40-21-26-19-30(36(48)46(35(26)43-37)28-9-5-4-6-10-28)29-13-14-32(41-24(29)2)34-11-7-8-17-45(34)25(3)47;35-30-17-22(23-9-14-44-21-23)3-8-28(30)29-16-24-18-37-34(39-32(24)42(33(29)43)20-31-36-10-15-45-31)38-25-4-6-26(7-5-25)41-13-12-40-11-1-2-27(40)19-41;1-19-27(40-29(47-19)20-6-7-37-16-20)23-14-21-17-38-31(41-28(21)44(30(23)46)18-26(45)43-10-2-3-11-43)39-22-4-5-25(24(15-22)32(33,34)35)42-12-8-36-9-13-42;1-16-21(15-32-24(34-16)17-2-3-17)20-12-18-14-33-27(36-25(18)38(26(20)39)28-31-8-11-40-28)35-19-4-5-23(22(29)13-19)37-9-6-30-7-10-37/h4-6,9-10,12-15,19-21,23,34,39H,7-8,11,16-18,22H2,1-3H3,(H,40,42,43);3-10,14-18,21,27H,1-2,11-13,19-20H2,(H,37,38,39);4-5,7,14-17,36H,2-3,6,8-13,18H2,1H3,(H,38,39,41);4-5,8,11-15,17,30H,2-3,6-7,9-10H2,1H3,(H,33,35,36)
• InChIKey: UCXKXTWYEWYPHZ-UHFFFAOYSA-N
• XLogP: 21.82
• TPSA: 434.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2502.32
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 161057266) is 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)N1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(N5CCNC(C)C5)c(F)c4)nc3n(-c3ccccc3)c2=O)c(C)n1.Cc1nc(C2CC2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(-c2nccs2)c1=O.Cc1sc(C2=CN=CC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(CC(=O)N2CCCC2)c1=O.O=c1c(-c2ccc(-c3ccoc3)cc2F)cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc2n1Cc1nccs1.

What is the InChIKey of 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UCXKXTWYEWYPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FN8O2.C34H30FN7O2S.C32H32F3N9O2S.C28H26ClN9OS/c1-23-22-44(18-16-39-23)33-15-12-27(20-31(33)38)42-37-40-21-26-19-30(36(48)46(35(26)43-37)28-9-5-4-6-10-28)29-13-14-32(41-24(29)2)34-11-7-8-17-45(34)25(3)47;35-30-17-22(23-9-14-44-21-23)3-8-28(30)29-16-24-18-37-34(39-32(24)42(33(29)43)20-31-36-10-15-45-31)38-25-4-6-26(7-5-25)41-13-12-40-11-1-2-27(40)19-41;1-19-27(40-29(47-19)20-6-7-37-16-20)23-14-21-17-38-31(41-28(21)44(30(23)46)18-26(45)43-10-2-3-11-43)39-22-4-5-25(24(15-22)32(33,34)35)42-12-8-36-9-13-42;1-16-21(15-32-24(34-16)17-2-3-17)20-12-18-14-33-27(36-25(18)38(26(20)39)28-31-8-11-40-28)35-19-4-5-23(22(29)13-19)37-9-6-30-7-10-37/h4-6,9-10,12-15,19-21,23,34,39H,7-8,11,16-18,22H2,1-3H3,(H,40,42,43);3-10,14-18,21,27H,1-2,11-13,19-20H2,(H,37,38,39);4-5,7,14-17,36H,2-3,6,8-13,18H2,1H3,(H,38,39,41);4-5,8,11-15,17,30H,2-3,6-7,9-10H2,1H3,(H,33,35,36).

What are the key properties of 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2502.32 g/mol, XLogP of 21.82, 26 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161057266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).