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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C127H130F3N25O5 — CID 160781727

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160781727) has the molecular formula C127H130F3N25O5 and a molecular weight of 2143.60 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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160781727
• Molecular Formula: C127H130F3N25O5
• Molecular Weight: 2143.60 g/mol
• Exact Mass: 2142.06
• 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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)C#Cc1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2cnccc2C(F)(F)F)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2ccncc2C2CCCC2)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
• InChI: InChI=1S/C34H38N8O.C33H34N6O2.C31H31N5O.C29H27F3N6O/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;1-2-41-18-14-26-19-28-20-36-33(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;1-18(2)3-4-20-13-22-16-35-28(36-24-7-5-19(6-8-24)21-9-11-33-14-21)37-26(22)38(27(20)39)17-23-15-34-12-10-25(23)29(30,31)32/h5,9-12,19-21,23,26,35H,3-4,6,13-18,22H2,1-2H3,(H,37,39,40);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);5-8,10,12-13,15-16,18,21,33H,9,11,14,17H2,1-2H3,(H,35,36,37)
• InChIKey: SARBPWORCMJHKY-UHFFFAOYSA-N
• XLogP: 20.33
• TPSA: 342.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.60
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 160781727) 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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is CC(C)C#Cc1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2cnccc2C(F)(F)F)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2ccncc2C2CCCC2)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.

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SARBPWORCMJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O.C33H34N6O2.C31H31N5O.C29H27F3N6O/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;1-2-41-18-14-26-19-28-20-36-33(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;1-18(2)3-4-20-13-22-16-35-28(36-24-7-5-19(6-8-24)21-9-11-33-14-21)37-26(22)38(27(20)39)17-23-15-34-12-10-25(23)29(30,31)32/h5,9-12,19-21,23,26,35H,3-4,6,13-18,22H2,1-2H3,(H,37,39,40);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);5-8,10,12-13,15-16,18,21,33H,9,11,14,17H2,1-2H3,(H,35,36,37).

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2143.60 g/mol, XLogP of 20.33, 24 rotatable bonds, 7 hydrogen bond donors, and 30 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;6-(3-methylbut-1-ynyl)-2-(4-pyrrolidin-3-ylanilino)-8-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160781727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).