6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one

C₁₅₁H₁₅₈F₃N₃₉O₉S — CID 159920492

About 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159920492) has the molecular formula C₁₅₁H₁₅₈F₃N₃₉O₉S and a molecular weight of 2752.25 g/mol. Its IUPAC name is 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159920492
• Molecular Formula: C₁₅₁H₁₅₈F₃N₃₉O₉S
• Molecular Weight: 2752.25 g/mol
• Exact Mass: 2750.28
• IUPAC Name: 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN(C)CCn1c(=O)c(-c2nc(-c3cnco3)cn2C)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(-c3ccccc3)c2=O)ncn1C1CCCC1.Cc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(-c2nccs2)c1=O.Cc1cc(C2CCCN2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CC(F)(F)F)c1=O.O=c1c(-c2cnc(C3=CCC=N3)nc2)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n1C1CCOC1
• InChI: InChI=1S/C32H34N8O.C31H31N7O2S.C30H31F3N6O2.C30H30N8O2.C28H32N10O2/c1-21-29(35-20-39(21)26-7-5-6-8-26)28-17-22-18-34-32(38-30(22)40(31(28)41)27-9-3-2-4-10-27)37-24-13-11-23(12-14-24)36-25-15-16-33-19-25;1-19-14-22(20-4-2-3-5-20)16-34-27(19)25-15-23-17-35-30(37-28(23)38(29(25)39)31-33-11-13-41-31)36-24-8-6-21(7-9-24)26-18-32-10-12-40-26;1-18-13-19(26-3-2-11-35-26)4-9-24(18)25-14-20-15-36-29(38-27(20)39(28(25)40)17-30(31,32)33)37-21-5-7-22(8-6-21)41-23-10-12-34-16-23;39-29-25(22-16-33-27(34-17-22)26-4-2-11-32-26)13-21-15-35-30(37-28(21)38(29)24-9-12-40-18-24)36-23-7-5-19(6-8-23)20-3-1-10-31-14-20;1-35(2)12-13-38-25-19(14-22(27(38)39)26-33-23(17-36(26)3)24-16-30-18-40-24)15-31-28(34-25)32-20-4-6-21(7-5-20)37-10-8-29-9-11-37/h2-4,9-14,17-18,20,25-26,33,36H,5-8,15-16,19H2,1H3,(H,34,37,38);6-9,11,13-17,20,26,32H,2-5,10,12,18H2,1H3,(H,35,36,37);4-9,13-15,23,26,34-35H,2-3,10-12,16-17H2,1H3,(H,36,37,38);4-8,11,13,15-17,20,24,31H,1-3,9-10,12,14,18H2,(H,35,36,37);4-7,14-18,29H,8-13H2,1-3H3,(H,31,32,34)
• InChIKey: NYIJMGDQWGQRRE-UHFFFAOYSA-N
• XLogP: 23.29
• TPSA: 543.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 49
• Rotatable Bonds: 34
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2752.25
LogP ≤ 5	23.29
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one (CID 159920492) is 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one is CN(C)CCn1c(=O)c(-c2nc(-c3cnco3)cn2C)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(-c3ccccc3)c2=O)ncn1C1CCCC1.Cc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(-c2nccs2)c1=O.Cc1cc(C2CCCN2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CC(F)(F)F)c1=O.O=c1c(-c2cnc(C3=CCC=N3)nc2)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n1C1CCOC1.

What is the InChIKey of 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is NYIJMGDQWGQRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O.C31H31N7O2S.C30H31F3N6O2.C30H30N8O2.C28H32N10O2/c1-21-29(35-20-39(21)26-7-5-6-8-26)28-17-22-18-34-32(38-30(22)40(31(28)41)27-9-3-2-4-10-27)37-24-13-11-23(12-14-24)36-25-15-16-33-19-25;1-19-14-22(20-4-2-3-5-20)16-34-27(19)25-15-23-17-35-30(37-28(23)38(29(25)39)31-33-11-13-41-31)36-24-8-6-21(7-9-24)26-18-32-10-12-40-26;1-18-13-19(26-3-2-11-35-26)4-9-24(18)25-14-20-15-36-29(38-27(20)39(28(25)40)17-30(31,32)33)37-21-5-7-22(8-6-21)41-23-10-12-34-16-23;39-29-25(22-16-33-27(34-17-22)26-4-2-11-32-26)13-21-15-35-30(37-28(21)38(29)24-9-12-40-18-24)36-23-7-5-19(6-8-23)20-3-1-10-31-14-20;1-35(2)12-13-38-25-19(14-22(27(38)39)26-33-23(17-36(26)3)24-16-30-18-40-24)15-31-28(34-25)32-20-4-6-21(7-5-20)37-10-8-29-9-11-37/h2-4,9-14,17-18,20,25-26,33,36H,5-8,15-16,19H2,1H3,(H,34,37,38);6-9,11,13-17,20,26,32H,2-5,10,12,18H2,1H3,(H,35,36,37);4-9,13-15,23,26,34-35H,2-3,10-12,16-17H2,1H3,(H,36,37,38);4-8,11,13,15-17,20,24,31H,1-3,9-10,12,14,18H2,(H,35,36,37);4-7,14-18,29H,8-13H2,1-3H3,(H,31,32,34).

What are the key properties of 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one?

6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2752.25 g/mol, XLogP of 23.29, 34 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159920492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159920492 — identifiers, structure, computed properties (public domain)

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