8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C132H143N33O4S3 — CID 157306928

About 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157306928) has the molecular formula C132H143N33O4S3 and a molecular weight of 2352.02 g/mol. Its IUPAC name is 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157306928
• Molecular Formula: C132H143N33O4S3
• Molecular Weight: 2352.02 g/mol
• Exact Mass: 2350.12
• IUPAC Name: 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1C=CC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5ccsc5-c5ccncc5)c4n3)cc2)C1.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2ccn(C)c2C2CC2)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2sccc2C2CCNC2)c1=O.Cn1cnc(Cn2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(NC5CCNCC5)cc4)nc32)c1C1=CCCC1
• InChI: InChI=1S/C34H36N8OS.C34H37N7O.C33H36N10O.C31H34N8OS2/c1-40-17-12-28(22-40)37-26-6-8-27(9-7-26)38-34-36-20-25-19-29(30-5-3-4-16-41(30)2)33(43)42(32(25)39-34)21-24-13-18-44-31(24)23-10-14-35-15-11-23;1-22-6-4-5-7-28(22)29-19-26-20-36-34(37-27-10-11-30(23(2)18-27)40-16-13-35-14-17-40)38-32(26)41(33(29)42)21-25-12-15-39(3)31(25)24-8-9-24;1-42-21-37-29(30(42)22-5-2-3-6-22)20-43-31-23(17-28(32(43)44)39-27-7-4-14-35-19-27)18-36-33(41-31)40-25-10-8-24(9-11-25)38-26-12-15-34-16-13-26;1-19-28(35-18-42-19)26-14-21-16-34-31(37-23-4-2-22(3-5-23)36-24-7-11-32-12-8-24)38-29(21)39(30(26)40)17-27-25(9-13-41-27)20-6-10-33-15-20/h6-15,17-20,28,30,37H,3-5,16,21-22H2,1-2H3,(H,36,38,39);4-7,10-12,15,18-20,24,35H,8-9,13-14,16-17,21H2,1-3H3,(H,36,37,38);4-5,7-11,14,17-19,21,26,34,38-39H,2-3,6,12-13,15-16,20H2,1H3,(H,36,40,41);2-5,9,13-14,16,18,20,24,32-33,36H,6-8,10-12,15,17H2,1H3,(H,34,37,38)
• InChIKey: BCOZCDNJQYXOQF-UHFFFAOYSA-N
• XLogP: 22.10
• TPSA: 406.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2352.02
LogP ≤ 5	22.10
H-Bond Donors ≤ 5	12
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 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 157306928) is 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is CN1C=CC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5ccsc5-c5ccncc5)c4n3)cc2)C1.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2ccn(C)c2C2CC2)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2sccc2C2CCNC2)c1=O.Cn1cnc(Cn2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(NC5CCNCC5)cc4)nc32)c1C1=CCCC1.

What is the InChIKey of 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BCOZCDNJQYXOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N8OS.C34H37N7O.C33H36N10O.C31H34N8OS2/c1-40-17-12-28(22-40)37-26-6-8-27(9-7-26)38-34-36-20-25-19-29(30-5-3-4-16-41(30)2)33(43)42(32(25)39-34)21-24-13-18-44-31(24)23-10-14-35-15-11-23;1-22-6-4-5-7-28(22)29-19-26-20-36-34(37-27-10-11-30(23(2)18-27)40-16-13-35-14-17-40)38-32(26)41(33(29)42)21-25-12-15-39(3)31(25)24-8-9-24;1-42-21-37-29(30(42)22-5-2-3-6-22)20-43-31-23(17-28(32(43)44)39-27-7-4-14-35-19-27)18-36-33(41-31)40-25-10-8-24(9-11-25)38-26-12-15-34-16-13-26;1-19-28(35-18-42-19)26-14-21-16-34-31(37-23-4-2-22(3-5-23)36-24-7-11-32-12-8-24)38-29(21)39(30(26)40)17-27-25(9-13-41-27)20-6-10-33-15-20/h6-15,17-20,28,30,37H,3-5,16,21-22H2,1-2H3,(H,36,38,39);4-7,10-12,15,18-20,24,35H,8-9,13-14,16-17,21H2,1-3H3,(H,36,37,38);4-5,7-11,14,17-19,21,26,34,38-39H,2-3,6,12-13,15-16,20H2,1H3,(H,36,40,41);2-5,9,13-14,16,18,20,24,32-33,36H,6-8,10-12,15,17H2,1H3,(H,34,37,38).

What are the key properties of 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2352.02 g/mol, XLogP of 22.10, 32 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[5-(cyclopenten-1-yl)-1-methylimidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-1-methylpyrrol-3-yl)methyl]-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methyl-2,3-dihydropyrrol-3-yl)amino]anilino]-6-(1-methylpiperidin-2-yl)-8-[(2-pyridin-4-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(3-pyrrolidin-3-ylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157306928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).