8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C129H133F4N33O5S — CID 159455697

About 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159455697) has the molecular formula C129H133F4N33O5S and a molecular weight of 2333.77 g/mol. Its IUPAC name is 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159455697
• Molecular Formula: C129H133F4N33O5S
• Molecular Weight: 2333.77 g/mol
• Exact Mass: 2332.08
• IUPAC Name: 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCCCC1c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2nccn2-c2ccncc2)c1=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(Cc2cccn2C2CC2)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2ccnn2C2CCNC2)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1Cc1ccoc1C1=CCCC1
• InChI: InChI=1S/C34H36FN7O.C33H31F3N8O2.C33H35N9O.C29H31N9OS/c1-21-7-4-5-9-28(21)29-15-24-17-36-34(38-25-10-13-31(30(35)16-25)40-18-22(2)37-23(3)19-40)39-32(24)42(33(29)43)20-27-8-6-14-41(27)26-11-12-26;34-33(35,36)26-17-24(7-8-28(26)43-13-11-37-12-14-43)41-32-39-18-23-16-27(40-25-6-3-10-38-19-25)31(45)44(30(23)42-32)20-22-9-15-46-29(22)21-4-1-2-5-21;1-40-18-3-2-4-29(40)28-20-25-21-37-33(38-26-7-5-23(6-8-26)24-9-13-34-14-10-24)39-31(25)42(32(28)43)22-30-36-17-19-41(30)27-11-15-35-16-12-27;1-18-26(33-17-40-18)25-12-21-14-32-29(35-22-4-2-19(3-5-22)20-6-9-30-13-20)36-27(21)37(28(25)39)16-24-8-11-34-38(24)23-7-10-31-15-23/h4-10,13-17,22-23,26,37H,11-12,18-20H2,1-3H3,(H,36,38,39);3-4,6-10,15-19,37,40H,1-2,5,11-14,20H2,(H,39,41,42);5-9,11-12,15-17,19-21,29,34H,2-4,10,13-14,18,22H2,1H3,(H,37,38,39);2-5,8,11-12,14,17,20,23,30-31H,6-7,9-10,13,15-16H2,1H3,(H,32,35,36)/t22-,23+
• InChIKey: LTYDCQVSOFKSPC-GQOINVLUSA-N
• XLogP: 20.85
• TPSA: 413.52 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2333.77
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159455697) is 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is CN1CCCCC1c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2nccn2-c2ccncc2)c1=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(Cc2cccn2C2CC2)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2ccnn2C2CCNC2)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1Cc1ccoc1C1=CCCC1.

What is the InChIKey of 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is LTYDCQVSOFKSPC-GQOINVLUSA-N. The full InChI is InChI=1S/C34H36FN7O.C33H31F3N8O2.C33H35N9O.C29H31N9OS/c1-21-7-4-5-9-28(21)29-15-24-17-36-34(38-25-10-13-31(30(35)16-25)40-18-22(2)37-23(3)19-40)39-32(24)42(33(29)43)20-27-8-6-14-41(27)26-11-12-26;34-33(35,36)26-17-24(7-8-28(26)43-13-11-37-12-14-43)41-32-39-18-23-16-27(40-25-6-3-10-38-19-25)31(45)44(30(23)42-32)20-22-9-15-46-29(22)21-4-1-2-5-21;1-40-18-3-2-4-29(40)28-20-25-21-37-33(38-26-7-5-23(6-8-26)24-9-13-34-14-10-24)39-31(25)42(32(28)43)22-30-36-17-19-41(30)27-11-15-35-16-12-27;1-18-26(33-17-40-18)25-12-21-14-32-29(35-22-4-2-19(3-5-22)20-6-9-30-13-20)36-27(21)37(28(25)39)16-24-8-11-34-38(24)23-7-10-31-15-23/h4-10,13-17,22-23,26,37H,11-12,18-20H2,1-3H3,(H,36,38,39);3-4,6-10,15-19,37,40H,1-2,5,11-14,20H2,(H,39,41,42);5-9,11-12,15-17,19-21,29,34H,2-4,10,13-14,18,22H2,1H3,(H,37,38,39);2-5,8,11-12,14,17,20,23,30-31H,6-7,9-10,13,15-16H2,1H3,(H,32,35,36)/t22-,23+;;;.

What are the key properties of 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2333.77 g/mol, XLogP of 20.85, 29 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159455697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).