6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide

C123H126F3N29O8S3 — CID 160722141

About 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide

6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide (PubChem CID 160722141) has the molecular formula C123H126F3N29O8S3 and a molecular weight of 2291.75 g/mol. Its IUPAC name is 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide.

Molecular Properties

• Compound Name: 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide
• PubChem CID: 160722141
• Molecular Formula: C123H126F3N29O8S3
• Molecular Weight: 2291.75 g/mol
• Exact Mass: 2289.95
• IUPAC Name: 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide
• SMILES: CCN(C#Cc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2sccc2-c2nccs2)c1=O)CC.CN(C)C(=O)C#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2nn(C)cc2CC(F)(F)F)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(C#CC5=CCCC5)c(=O)n(-c5ccncc5)c4n3)cc2)C1.CSc1nccnc1Cn1c(=O)c(C#CC2CCCC2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21
• InChI: InChI=1S/C32H33N7O2S2.C31H33N7O2S.C30H31F3N8O3.C30H29N7O/c1-3-38(4-2)16-11-22-19-23-20-35-32(36-24-5-7-25(8-6-24)41-26-9-13-33-14-10-26)37-29(23)39(31(22)40)21-28-27(12-17-42-28)30-34-15-18-43-30;1-37-15-16-40-27(20-37)22-9-11-25(12-10-22)35-31-34-18-24-17-23(8-7-21-5-3-4-6-21)30(39)38(28(24)36-31)19-26-29(41-2)33-14-13-32-26;1-39(2)26(42)11-6-19-13-20-15-35-29(36-22-7-9-23(10-8-22)44-24-5-4-12-34-16-24)37-27(20)41(28(19)43)18-25-21(14-30(31,32)33)17-40(3)38-25;1-36-17-14-26(20-36)33-24-8-10-25(11-9-24)34-30-32-19-23-18-22(7-6-21-4-2-3-5-21)29(38)37(28(23)35-30)27-12-15-31-16-13-27/h5-8,12,15,17-20,26,33H,3-4,9-10,13-14,21H2,1-2H3,(H,35,36,37);9-14,17-18,21,27H,3-6,15-16,19-20H2,1-2H3,(H,34,35,36);7-10,13,15,17,24,34H,4-5,12,14,16,18H2,1-3H3,(H,35,36,37);4,8-13,15-16,18-19,26,33H,2-3,5,14,17,20H2,1H3,(H,32,34,35)
• InChIKey: RTFVZMAIAQBGQM-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 402.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.75
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide?

The IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide (CID 160722141) is 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide.

What is the SMILES notation for 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide?

The canonical SMILES for 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide is CCN(C#Cc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2sccc2-c2nccs2)c1=O)CC.CN(C)C(=O)C#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2nn(C)cc2CC(F)(F)F)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(C#CC5=CCCC5)c(=O)n(-c5ccncc5)c4n3)cc2)C1.CSc1nccnc1Cn1c(=O)c(C#CC2CCCC2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.

What is the InChIKey of 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide?

The InChIKey is RTFVZMAIAQBGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O2S2.C31H33N7O2S.C30H31F3N8O3.C30H29N7O/c1-3-38(4-2)16-11-22-19-23-20-35-32(36-24-5-7-25(8-6-24)41-26-9-13-33-14-10-26)37-29(23)39(31(22)40)21-28-27(12-17-42-28)30-34-15-18-43-30;1-37-15-16-40-27(20-37)22-9-11-25(12-10-22)35-31-34-18-24-17-23(8-7-21-5-3-4-6-21)30(39)38(28(24)36-31)19-26-29(41-2)33-14-13-32-26;1-39(2)26(42)11-6-19-13-20-15-35-29(36-22-7-9-23(10-8-22)44-24-5-4-12-34-16-24)37-27(20)41(28(19)43)18-25-21(14-30(31,32)33)17-40(3)38-25;1-36-17-14-26(20-36)33-24-8-10-25(11-9-24)34-30-32-19-23-18-22(7-6-21-4-2-3-5-21)29(38)37(28(23)35-30)27-12-15-31-16-13-27/h5-8,12,15,17-20,26,33H,3-4,9-10,13-14,21H2,1-2H3,(H,35,36,37);9-14,17-18,21,27H,3-6,15-16,19-20H2,1-2H3,(H,34,35,36);7-10,13,15,17,24,34H,4-5,12,14,16,18H2,1-3H3,(H,35,36,37);4,8-13,15-16,18-19,26,33H,2-3,5,14,17,20H2,1H3,(H,32,34,35).

What are the key properties of 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide?

6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide has a molecular weight of 2291.75 g/mol, XLogP of 17.68, 27 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(cyclopenten-1-yl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[8-[[1-methyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide is sourced from PubChem (CID 160722141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).