6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen

C131H142N28O6 — CID 157209813

About 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen

6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen (PubChem CID 157209813) has the molecular formula C131H142N28O6 and a molecular weight of 2204.77 g/mol. Its IUPAC name is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen
• PubChem CID: 157209813
• Molecular Formula: C131H142N28O6
• Molecular Weight: 2204.77 g/mol
• Exact Mass: 2203.17
• IUPAC Name: 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen
• SMILES: CCOC#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2ccncc2C2CCCC2)c1=O.CN(C)C(=O)C#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccnc2-c2ccncc2)c1=O.CN(C)CCc1ncncc1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(C#CC5CCCC5)c(=O)n(-c5ccccc5)c4n3)cc2)C1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C34H38N8O.C33H31N9O2.C33H34N6O2.C31H31N5O.4H2/c1-41(2)18-15-31-29(20-36-23-38-31)22-42-32-28(19-27(33(42)43)8-7-24-5-3-4-6-24)21-37-34(40-32)39-30-11-9-25(10-12-30)26-13-16-35-17-14-26;1-41(2)29(43)10-7-24-18-26-20-38-33(39-27-8-5-22(6-9-27)25-4-3-13-35-19-25)40-31(26)42(32(24)44)21-28-30(37-17-16-36-28)23-11-14-34-15-12-23;1-2-41-18-14-26-19-28-20-36-33(37-29-9-7-23(8-10-29)24-11-15-34-16-12-24)38-31(28)39(32(26)40)22-27-13-17-35-21-30(27)25-5-3-4-6-25;1-35-18-17-25(21-35)23-13-15-27(16-14-23)33-31-32-20-26-19-24(12-11-22-7-5-6-8-22)30(37)36(29(26)34-31)28-9-3-2-4-10-28;;;;/h5,9-12,19-21,23,26,35H,3-4,6,13-18,22H2,1-2H3,(H,37,39,40);5-6,8-9,11-12,14-18,20,25,35H,3-4,13,19,21H2,1-2H3,(H,38,39,40);7-11,13,17,19-21,25,34H,2-6,12,15-16,22H2,1H3,(H,36,37,38);2-4,9-10,13-16,19-20,22,25H,5-8,17-18,21H2,1H3,(H,32,33,34);4*1H
• InChIKey: ARTMFHYKCHZEIA-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 388.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.77
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen?

The IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen (CID 157209813) is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen.

What is the SMILES notation for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen?

The canonical SMILES for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen is CCOC#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2ccncc2C2CCCC2)c1=O.CN(C)C(=O)C#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccnc2-c2ccncc2)c1=O.CN(C)CCc1ncncc1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(C#CC5CCCC5)c(=O)n(-c5ccccc5)c4n3)cc2)C1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen?

The InChIKey is ARTMFHYKCHZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O.C33H31N9O2.C33H34N6O2.C31H31N5O.4H2/c1-41(2)18-15-31-29(20-36-23-38-31)22-42-32-28(19-27(33(42)43)8-7-24-5-3-4-6-24)21-37-34(40-32)39-30-11-9-25(10-12-30)26-13-16-35-17-14-26;1-41(2)29(43)10-7-24-18-26-20-38-33(39-27-8-5-22(6-9-27)25-4-3-13-35-19-25)40-31(26)42(32(24)44)21-28-30(37-17-16-36-28)23-11-14-34-15-12-23;1-2-41-18-14-26-19-28-20-36-33(37-29-9-7-23(8-10-29)24-11-15-34-16-12-24)38-31(28)39(32(26)40)22-27-13-17-35-21-30(27)25-5-3-4-6-25;1-35-18-17-25(21-35)23-13-15-27(16-14-23)33-31-32-20-26-19-24(12-11-22-7-5-6-8-22)30(37)36(29(26)34-31)28-9-3-2-4-10-28;;;;/h5,9-12,19-21,23,26,35H,3-4,6,13-18,22H2,1-2H3,(H,37,39,40);5-6,8-9,11-12,14-18,20,25,35H,3-4,13,19,21H2,1-2H3,(H,38,39,40);7-11,13,17,19-21,25,34H,2-6,12,15-16,22H2,1H3,(H,36,37,38);2-4,9-10,13-16,19-20,22,25H,5-8,17-18,21H2,1H3,(H,32,33,34);4*1H.

What are the key properties of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen?

6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen has a molecular weight of 2204.77 g/mol, XLogP of 19.58, 25 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentyl-4-pyridinyl)methyl]-6-(2-ethoxyethynyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-2-(4-piperidin-3-ylanilino)-8-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen is sourced from PubChem (CID 157209813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).