6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C128H148FN23O13S4 — CID 159693549

About 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 159693549) has the molecular formula C128H148FN23O13S4 and a molecular weight of 2364.01 g/mol. Its IUPAC name is 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159693549
• Molecular Formula: C128H148FN23O13S4
• Molecular Weight: 2364.01 g/mol
• Exact Mass: 2362.05
• IUPAC Name: 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(=O)(c1cnc(-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CC)c2=O)c(C)c1)C(C)C.COCCS(=O)c1ccc(-c2cc3cnc(Nc4ccc(C5CCCCO5)cc4)nc3n(C(C)C)c2=O)c(F)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3n(C3CCCC3)c2=O)c(S(=O)(=O)c2ccccc2)c1.Cc1nn(S(=O)(=O)CCN(C)C)c(C)c1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC2CC2)c1=O
• InChI: InChI=1S/C37H39N5O3S.C32H42N8O3S.C30H33FN4O4S.C29H34N6O3S/c1-25-12-17-32(34(22-25)46(44,45)31-10-4-3-5-11-31)33-23-28-24-38-37(40-35(28)42(36(33)43)30-8-6-7-9-30)39-29-15-13-26(14-16-29)27-18-20-41(2)21-19-27;1-21-29(22(2)40(36-21)44(42,43)16-15-37(3)4)28-17-26-18-33-32(35-30(26)39(31(28)41)19-23-8-9-23)34-27-12-10-24(11-13-27)25-7-6-14-38(5)20-25;1-19(2)35-28-21(16-25(29(35)36)24-12-11-23(17-26(24)31)40(37)15-14-38-3)18-32-30(34-28)33-22-9-7-20(8-10-22)27-6-4-5-13-39-27;1-6-35-27-20(14-25(28(35)36)26-19(4)13-24(17-31-26)39(5,37)18(2)3)15-32-29(34-27)33-21-7-9-22(10-8-21)38-23-11-12-30-16-23/h3-5,10-17,22-24,27,30H,6-9,18-21H2,1-2H3,(H,38,39,40);10-13,17-18,23,25H,6-9,14-16,19-20H2,1-5H3,(H,33,34,35);7-12,16-19,27H,4-6,13-15H2,1-3H3,(H,32,33,34);7-10,13-15,17-18,23,30H,5-6,11-12,16H2,1-4H3,(H,32,33,34)
• InChIKey: MWSGPWODFPLAGG-UHFFFAOYSA-N
• XLogP: 21.31
• TPSA: 421.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2364.01
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 159693549) is 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is C=S(=O)(c1cnc(-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CC)c2=O)c(C)c1)C(C)C.COCCS(=O)c1ccc(-c2cc3cnc(Nc4ccc(C5CCCCO5)cc4)nc3n(C(C)C)c2=O)c(F)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3n(C3CCCC3)c2=O)c(S(=O)(=O)c2ccccc2)c1.Cc1nn(S(=O)(=O)CCN(C)C)c(C)c1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC2CC2)c1=O.

What is the InChIKey of 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MWSGPWODFPLAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N5O3S.C32H42N8O3S.C30H33FN4O4S.C29H34N6O3S/c1-25-12-17-32(34(22-25)46(44,45)31-10-4-3-5-11-31)33-23-28-24-38-37(40-35(28)42(36(33)43)30-8-6-7-9-30)39-29-15-13-26(14-16-29)27-18-20-41(2)21-19-27;1-21-29(22(2)40(36-21)44(42,43)16-15-37(3)4)28-17-26-18-33-32(35-30(26)39(31(28)41)19-23-8-9-23)34-27-12-10-24(11-13-27)25-7-6-14-38(5)20-25;1-19(2)35-28-21(16-25(29(35)36)24-12-11-23(17-26(24)31)40(37)15-14-38-3)18-32-30(34-28)33-22-9-7-20(8-10-22)27-6-4-5-13-39-27;1-6-35-27-20(14-25(28(35)36)26-19(4)13-24(17-31-26)39(5,37)18(2)3)15-32-29(34-27)33-21-7-9-22(10-8-21)38-23-11-12-30-16-23/h3-5,10-17,22-24,27,30H,6-9,18-21H2,1-2H3,(H,38,39,40);10-13,17-18,23,25H,6-9,14-16,19-20H2,1-5H3,(H,33,34,35);7-12,16-19,27H,4-6,13-15H2,1-3H3,(H,32,33,34);7-10,13-15,17-18,23,30H,5-6,11-12,16H2,1-4H3,(H,32,33,34).

What are the key properties of 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2364.01 g/mol, XLogP of 21.31, 34 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(benzenesulfonyl)-4-methylphenyl]-8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-[2-(dimethylamino)ethylsulfonyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-[4-(oxan-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159693549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).