8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

C131H135Cl2F3N24O15S5 — CID 159123895

About 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159123895) has the molecular formula C131H135Cl2F3N24O15S5 and a molecular weight of 2573.91 g/mol. Its IUPAC name is 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159123895
• Molecular Formula: C131H135Cl2F3N24O15S5
• Molecular Weight: 2573.91 g/mol
• Exact Mass: 2570.85
• IUPAC Name: 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(=O)(c1ccncc1)c1cc(Cl)c(-c2cc3cnc(Nc4ccc(CC5CCNCC5)cc4)nc3n(C3CCCC3)c2=O)c(Cl)c1.CN(C)CCn1c(=O)c(-c2cccc(S(=O)(=O)c3cccs3)c2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CN1CCC(Cc2ccc(Nc3ncc4cc(-c5nccn5S(=O)(=O)CC(F)(F)F)c(=O)n(C5CCOC5)c4n3)cc2)C1.O=c1c(-c2ccccc2S(=O)(=O)C2CCOCC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1-c1ccccc1
• InChI: InChI=1S/C36H36Cl2N6O2S.C35H35N5O5S.C32H34N6O4S2.C28H30F3N7O4S/c1-47(46,28-12-16-40-17-13-28)29-20-31(37)33(32(38)21-29)30-19-25-22-41-36(43-34(25)44(35(30)45)27-4-2-3-5-27)42-26-8-6-23(7-9-26)18-24-10-14-39-15-11-24;41-34-31(30-10-4-5-11-32(30)46(42,43)29-16-19-44-20-17-29)21-24-22-37-35(39-33(24)40(34)26-7-2-1-3-8-26)38-25-12-14-27(15-13-25)45-28-9-6-18-36-23-28;1-36(2)13-14-38-30-24(19-27(31(38)39)23-6-4-7-26(18-23)44(40,41)29-8-5-17-43-29)20-33-32(35-30)34-25-11-9-22(10-12-25)28-21-37(3)15-16-42-28;1-36-9-6-19(15-36)12-18-2-4-21(5-3-18)34-27-33-14-20-13-23(26(39)38(24(20)35-27)22-7-11-42-16-22)25-32-8-10-37(25)43(40,41)17-28(29,30)31/h6-9,12-13,16-17,19-22,24,27,39H,1-5,10-11,14-15,18H2,(H,41,42,43);1-5,7-8,10-15,21-22,28-29,36H,6,9,16-20,23H2,(H,37,38,39);4-12,17-20,28H,13-16,21H2,1-3H3,(H,33,34,35);2-5,8,10,13-14,19,22H,6-7,9,11-12,15-17H2,1H3,(H,33,34,35)
• InChIKey: KGASMPZBOPOQLZ-UHFFFAOYSA-N
• XLogP: 21.23
• TPSA: 460.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2573.91
LogP ≤ 5	21.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 159123895) is 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is C=S(=O)(c1ccncc1)c1cc(Cl)c(-c2cc3cnc(Nc4ccc(CC5CCNCC5)cc4)nc3n(C3CCCC3)c2=O)c(Cl)c1.CN(C)CCn1c(=O)c(-c2cccc(S(=O)(=O)c3cccs3)c2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CN1CCC(Cc2ccc(Nc3ncc4cc(-c5nccn5S(=O)(=O)CC(F)(F)F)c(=O)n(C5CCOC5)c4n3)cc2)C1.O=c1c(-c2ccccc2S(=O)(=O)C2CCOCC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1-c1ccccc1.

What is the InChIKey of 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KGASMPZBOPOQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36Cl2N6O2S.C35H35N5O5S.C32H34N6O4S2.C28H30F3N7O4S/c1-47(46,28-12-16-40-17-13-28)29-20-31(37)33(32(38)21-29)30-19-25-22-41-36(43-34(25)44(35(30)45)27-4-2-3-5-27)42-26-8-6-23(7-9-26)18-24-10-14-39-15-11-24;41-34-31(30-10-4-5-11-32(30)46(42,43)29-16-19-44-20-17-29)21-24-22-37-35(39-33(24)40(34)26-7-2-1-3-8-26)38-25-12-14-27(15-13-25)45-28-9-6-18-36-23-28;1-36(2)13-14-38-30-24(19-27(31(38)39)23-6-4-7-26(18-23)44(40,41)29-8-5-17-43-29)20-33-32(35-30)34-25-11-9-22(10-12-25)28-21-37(3)15-16-42-28;1-36-9-6-19(15-36)12-18-2-4-21(5-3-18)34-27-33-14-20-13-23(26(39)38(24(20)35-27)22-7-11-42-16-22)25-32-8-10-37(25)43(40,41)17-28(29,30)31/h6-9,12-13,16-17,19-22,24,27,39H,1-5,10-11,14-15,18H2,(H,41,42,43);1-5,7-8,10-15,21-22,28-29,36H,6,9,16-20,23H2,(H,37,38,39);4-12,17-20,28H,13-16,21H2,1-3H3,(H,33,34,35);2-5,8,10,13-14,19,22H,6-7,9,11-12,15-17H2,1H3,(H,33,34,35).

What are the key properties of 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2573.91 g/mol, XLogP of 21.23, 33 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159123895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).