2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C124H122F7N33O5S2 — CID 158457455

About 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158457455) has the molecular formula C124H122F7N33O5S2 and a molecular weight of 2351.69 g/mol. Its IUPAC name is 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158457455
• Molecular Formula: C124H122F7N33O5S2
• Molecular Weight: 2351.69 g/mol
• Exact Mass: 2349.96
• IUPAC Name: 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C[C@@H]1CN(c2ccc(Nc3ncc4cc(-c5nc(-c6cnn(C)n6)cn5C)c(=O)n(C5CCOC5)c4n3)cc2F)C[C@H](C)N1.Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)ncn1-c1ncnn1C.Cc1cc(-c2ccsc2)ccc1-c1cc2cnc(Nc3ccc(C4CCCC4)cc3)nc2n(-c2ccccc2)c1=O.Cc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O
• InChI: InChI=1S/C35H30N4OS.C30H25F3N6OS.C30H34FN11O2.C29H33F3N12O/c1-23-19-26(27-17-18-41-22-27)13-16-31(23)32-20-28-21-36-35(37-29-14-11-25(12-15-29)24-7-5-6-8-24)38-33(28)39(34(32)40)30-9-3-2-4-10-30;1-18-12-22(21-8-11-41-16-21)14-35-26(18)25-13-23-15-36-29(38-27(23)39(28(25)40)17-30(31,32)33)37-24-4-2-19(3-5-24)20-6-9-34-10-7-20;1-17-13-41(14-18(2)34-17)26-6-5-20(10-23(26)31)35-30-32-11-19-9-22(29(43)42(27(19)37-30)21-7-8-44-16-21)28-36-25(15-39(28)3)24-12-33-40(4)38-24;1-18-24(36-17-44(18)28-35-16-37-41(28)4)21-13-19-15-34-27(39-25(19)43(26(21)45)12-11-40(2)3)38-20-5-6-23(22(14-20)29(30,31)32)42-9-7-33-8-10-42/h2-4,9-22,24H,5-8H2,1H3,(H,36,37,38);2-6,8,11-16,34H,7,9-10,17H2,1H3,(H,36,37,38);5-6,9-12,15,17-18,21,34H,7-8,13-14,16H2,1-4H3,(H,32,35,37);5-6,13-17,33H,7-12H2,1-4H3,(H,34,38,39)/t;;17-,18+,21?
• InChIKey: HETDBODUXIAONB-HRKXKYNHSA-N
• XLogP: 21.29
• TPSA: 404.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2351.69
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 158457455) is 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is C[C@@H]1CN(c2ccc(Nc3ncc4cc(-c5nc(-c6cnn(C)n6)cn5C)c(=O)n(C5CCOC5)c4n3)cc2F)C[C@H](C)N1.Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)ncn1-c1ncnn1C.Cc1cc(-c2ccsc2)ccc1-c1cc2cnc(Nc3ccc(C4CCCC4)cc3)nc2n(-c2ccccc2)c1=O.Cc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.

What is the InChIKey of 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HETDBODUXIAONB-HRKXKYNHSA-N. The full InChI is InChI=1S/C35H30N4OS.C30H25F3N6OS.C30H34FN11O2.C29H33F3N12O/c1-23-19-26(27-17-18-41-22-27)13-16-31(23)32-20-28-21-36-35(37-29-14-11-25(12-15-29)24-7-5-6-8-24)38-33(28)39(34(32)40)30-9-3-2-4-10-30;1-18-12-22(21-8-11-41-16-21)14-35-26(18)25-13-23-15-36-29(38-27(23)39(28(25)40)17-30(31,32)33)37-24-4-2-19(3-5-24)20-6-9-34-10-7-20;1-17-13-41(14-18(2)34-17)26-6-5-20(10-23(26)31)35-30-32-11-19-9-22(29(43)42(27(19)37-30)21-7-8-44-16-21)28-36-25(15-39(28)3)24-12-33-40(4)38-24;1-18-24(36-17-44(18)28-35-16-37-41(28)4)21-13-19-15-34-27(39-25(19)43(26(21)45)12-11-40(2)3)38-20-5-6-23(22(14-20)29(30,31)32)42-9-7-33-8-10-42/h2-4,9-22,24H,5-8H2,1H3,(H,36,37,38);2-6,8,11-16,34H,7,9-10,17H2,1H3,(H,36,37,38);5-6,9-12,15,17-18,21,34H,7-8,13-14,16H2,1-4H3,(H,32,35,37);5-6,13-17,33H,7-12H2,1-4H3,(H,34,38,39)/t;;17-,18+,21?;.

What are the key properties of 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2351.69 g/mol, XLogP of 21.29, 26 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158457455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).