6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C132H137F3N30O7 — CID 158464566

About 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158464566) has the molecular formula C132H137F3N30O7 and a molecular weight of 2312.74 g/mol. Its IUPAC name is 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158464566
• Molecular Formula: C132H137F3N30O7
• Molecular Weight: 2312.74 g/mol
• Exact Mass: 2311.12
• IUPAC Name: 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC#Cc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2cnccc2CCN(C)C)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2cncnc2-c2ccncc2)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(Cc2nccnc2CC(F)(F)F)c1=O.CN(c1ccc(Nc2ncc3cc(C#CC4CC4)c(=O)n(Cc4ccncc4-c4ccccc4)c3n2)cc1)C1CCCNC1
• InChI: InChI=1S/C36H35N7O.C34H34N8O2.C32H38N8O.C30H30F3N7O3/c1-42(32-8-5-18-37-22-32)31-15-13-30(14-16-31)40-36-39-21-29-20-27(12-11-25-9-10-25)35(44)43(34(29)41-36)24-28-17-19-38-23-33(28)26-6-3-2-4-7-26;1-23(2)6-7-25-17-26-19-37-34(39-28-8-10-29(11-9-28)44-30-5-4-16-41(3)21-30)40-32(26)42(33(25)43)20-27-18-36-22-38-31(27)24-12-14-35-15-13-24;1-5-6-24-19-25-21-34-32(36-28-9-7-27(8-10-28)35-29-13-17-39(4)18-14-29)37-30(25)40(31(24)41)22-26-20-33-15-11-23(26)12-16-38(2)3;1-3-42-15-10-20-16-21-18-36-29(37-22-4-6-23(7-5-22)43-24-8-13-39(2)14-9-24)38-27(21)40(28(20)41)19-26-25(17-30(31,32)33)34-11-12-35-26/h2-4,6-7,13-17,19-21,23,25,32,37H,5,8-10,18,22,24H2,1H3,(H,39,40,41);8-15,17-19,22-23,30H,4-5,16,20-21H2,1-3H3,(H,37,39,40);7-11,15,19-21,29,35H,12-14,16-18,22H2,1-4H3,(H,34,36,37);4-7,11-12,16,18,24H,3,8-9,13-14,17,19H2,1-2H3,(H,36,37,38)
• InChIKey: HFPCLNYYWFNFRI-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 397.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.74
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 158464566) is 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is CC#Cc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2cnccc2CCN(C)C)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2cncnc2-c2ccncc2)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(Cc2nccnc2CC(F)(F)F)c1=O.CN(c1ccc(Nc2ncc3cc(C#CC4CC4)c(=O)n(Cc4ccncc4-c4ccccc4)c3n2)cc1)C1CCCNC1.

What is the InChIKey of 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HFPCLNYYWFNFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N7O.C34H34N8O2.C32H38N8O.C30H30F3N7O3/c1-42(32-8-5-18-37-22-32)31-15-13-30(14-16-31)40-36-39-21-29-20-27(12-11-25-9-10-25)35(44)43(34(29)41-36)24-28-17-19-38-23-33(28)26-6-3-2-4-7-26;1-23(2)6-7-25-17-26-19-37-34(39-28-8-10-29(11-9-28)44-30-5-4-16-41(3)21-30)40-32(26)42(33(25)43)20-27-18-36-22-38-31(27)24-12-14-35-15-13-24;1-5-6-24-19-25-21-34-32(36-28-9-7-27(8-10-28)35-29-13-17-39(4)18-14-29)37-30(25)40(31(24)41)22-26-20-33-15-11-23(26)12-16-38(2)3;1-3-42-15-10-20-16-21-18-36-29(37-22-4-6-23(7-5-22)43-24-8-13-39(2)14-9-24)38-27(21)40(28(20)41)19-26-25(17-30(31,32)33)34-11-12-35-26/h2-4,6-7,13-17,19-21,23,25,32,37H,5,8-10,18,22,24H2,1H3,(H,39,40,41);8-15,17-19,22-23,30H,4-5,16,20-21H2,1-3H3,(H,37,39,40);7-11,15,19-21,29,35H,12-14,16-18,22H2,1-4H3,(H,34,36,37);4-7,11-12,16,18,24H,3,8-9,13-14,17,19H2,1-2H3,(H,36,37,38).

What are the key properties of 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2312.74 g/mol, XLogP of 18.77, 31 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158464566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).