8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C127H136N34O8S2 — CID 158545165

About 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158545165) has the molecular formula C127H136N34O8S2 and a molecular weight of 2330.85 g/mol. Its IUPAC name is 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158545165
• Molecular Formula: C127H136N34O8S2
• Molecular Weight: 2330.85 g/mol
• Exact Mass: 2329.07
• IUPAC Name: 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(Cc2ncoc2C2=CCCC2)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5ocnc5C5CC5)c4n3)cc2)C1.Cc1scnc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2cncn2C2CCOCC2)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n1Cc1nccn1-c1nccs1
• InChI: InChI=1S/C35H34N6O3.C31H35N9O2S.C31H38N8O2.C30H29N11OS/c1-23(24-8-4-3-5-9-24)29-18-27-19-36-35(38-28-14-12-25(13-15-28)31-21-40(2)16-17-43-31)39-33(27)41(34(29)42)20-30-32(44-22-37-30)26-10-6-7-11-26;1-20-28(35-19-43-20)27-14-21-15-34-31(37-23-4-2-22(3-5-23)36-24-6-10-32-11-7-24)38-29(21)39(30(27)41)17-26-16-33-18-40(26)25-8-12-42-13-9-25;1-37-14-12-24(17-37)34-22-8-10-23(11-9-22)35-31-32-16-21-15-25(26-5-3-4-13-38(26)2)30(40)39(29(21)36-31)18-27-28(20-6-7-20)33-19-41-27;42-28-25(37-24-2-1-9-32-18-24)16-20-17-35-29(38-22-5-3-21(4-6-22)36-23-7-10-31-11-8-23)39-27(20)41(28)19-26-33-12-14-40(26)30-34-13-15-43-30/h3-5,8-10,12-15,18-19,22,31H,1,6-7,11,16-17,20-21H2,2H3,(H,36,38,39);2-5,14-16,18-19,24-25,32,36H,6-13,17H2,1H3,(H,34,37,38);8-11,15-16,19-20,24,26,34H,3-7,12-14,17-18H2,1-2H3,(H,32,35,36);1-6,9,12-18,23,31,36-37H,7-8,10-11,19H2,(H,35,38,39)
• InChIKey: HPAFSSZXPKTXTL-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 465.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 33
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2330.85
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 158545165) is 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(Cc2ncoc2C2=CCCC2)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5ocnc5C5CC5)c4n3)cc2)C1.Cc1scnc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2cncn2C2CCOCC2)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n1Cc1nccn1-c1nccs1.

What is the InChIKey of 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HPAFSSZXPKTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O3.C31H35N9O2S.C31H38N8O2.C30H29N11OS/c1-23(24-8-4-3-5-9-24)29-18-27-19-36-35(38-28-14-12-25(13-15-28)31-21-40(2)16-17-43-31)39-33(27)41(34(29)42)20-30-32(44-22-37-30)26-10-6-7-11-26;1-20-28(35-19-43-20)27-14-21-15-34-31(37-23-4-2-22(3-5-23)36-24-6-10-32-11-7-24)38-29(21)39(30(27)41)17-26-16-33-18-40(26)25-8-12-42-13-9-25;1-37-14-12-24(17-37)34-22-8-10-23(11-9-22)35-31-32-16-21-15-25(26-5-3-4-13-38(26)2)30(40)39(29(21)36-31)18-27-28(20-6-7-20)33-19-41-27;42-28-25(37-24-2-1-9-32-18-24)16-20-17-35-29(38-22-5-3-21(4-6-22)36-23-7-10-31-11-8-23)39-27(20)41(28)19-26-33-12-14-40(26)30-34-13-15-43-30/h3-5,8-10,12-15,18-19,22,31H,1,6-7,11,16-17,20-21H2,2H3,(H,36,38,39);2-5,14-16,18-19,24-25,32,36H,6-13,17H2,1H3,(H,34,37,38);8-11,15-16,19-20,24,26,34H,3-7,12-14,17-18H2,1-2H3,(H,32,35,36);1-6,9,12-18,23,31,36-37H,7-8,10-11,19H2,(H,35,38,39).

What are the key properties of 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2330.85 g/mol, XLogP of 20.18, 33 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[5-(cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158545165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).