6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate

C127H152FN29O9S3 — CID 158481999

About 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate

6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate (PubChem CID 158481999) has the molecular formula C127H152FN29O9S3 and a molecular weight of 2344.01 g/mol. Its IUPAC name is 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate.

Molecular Properties

• Compound Name: 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate
• PubChem CID: 158481999
• Molecular Formula: C127H152FN29O9S3
• Molecular Weight: 2344.01 g/mol
• Exact Mass: 2342.15
• IUPAC Name: 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate
• SMILES: CCn1c(=O)c(-c2c(C)nn(C3CCCC3)c2C)cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccc(-c5nnco5)cc4F)c(=O)n(C4CCN(S(C)=O)CC4)c3n2)cc1)C1CCCNC1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCS5)cc4)nc3n(CC3CC3)c2=O)c(C2CCNC2)c1.Cc1sc(C2CCCN2)nc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C(C)C)c1=O.O
• InChI: InChI=1S/C33H36FN9O3S.C33H38N6OS.C31H39N7O2.C30H37N7O2S.H2O/c1-41(26-4-3-13-35-19-26)24-8-6-23(7-9-24)38-33-36-18-22-16-28(27-10-5-21(17-29(27)34)31-40-37-20-46-31)32(44)43(30(22)39-33)25-11-14-42(15-12-25)47(2)45;1-21-3-10-27(28(15-21)24-11-12-34-17-24)29-16-25-18-35-33(37-31(25)39(32(29)40)19-22-4-5-22)36-26-8-6-23(7-9-26)30-20-38(2)13-14-41-30;1-5-37-29-22(17-27(30(37)39)28-20(2)35-38(21(28)3)24-9-6-7-10-24)18-32-31(34-29)33-23-12-14-25(15-13-23)40-26-11-8-16-36(4)19-26;1-18(2)37-27-20(16-24(29(37)38)26-19(3)40-28(34-26)25-6-5-13-31-25)17-32-30(35-27)33-21-7-9-22(10-8-21)39-23-11-14-36(4)15-12-23;/h5-10,16-18,20,25-26,35H,3-4,11-15,19H2,1-2H3,(H,36,38,39);3,6-10,15-16,18,22,24,30,34H,4-5,11-14,17,19-20H2,1-2H3,(H,35,36,37);12-15,17-18,24,26H,5-11,16,19H2,1-4H3,(H,32,33,34);7-10,16-18,23,25,31H,5-6,11-15H2,1-4H3,(H,32,33,35);1H2
• InChIKey: BHJNLNYNEJSRPO-UHFFFAOYSA-N
• XLogP: 20.47
• TPSA: 428.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.01
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate?

The IUPAC name of 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate (CID 158481999) is 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate.

What is the SMILES notation for 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate?

The canonical SMILES for 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate is CCn1c(=O)c(-c2c(C)nn(C3CCCC3)c2C)cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccc(-c5nnco5)cc4F)c(=O)n(C4CCN(S(C)=O)CC4)c3n2)cc1)C1CCCNC1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCS5)cc4)nc3n(CC3CC3)c2=O)c(C2CCNC2)c1.Cc1sc(C2CCCN2)nc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C(C)C)c1=O.O.

What is the InChIKey of 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate?

The InChIKey is BHJNLNYNEJSRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN9O3S.C33H38N6OS.C31H39N7O2.C30H37N7O2S.H2O/c1-41(26-4-3-13-35-19-26)24-8-6-23(7-9-24)38-33-36-18-22-16-28(27-10-5-21(17-29(27)34)31-40-37-20-46-31)32(44)43(30(22)39-33)25-11-14-42(15-12-25)47(2)45;1-21-3-10-27(28(15-21)24-11-12-34-17-24)29-16-25-18-35-33(37-31(25)39(32(29)40)19-22-4-5-22)36-26-8-6-23(7-9-26)30-20-38(2)13-14-41-30;1-5-37-29-22(17-27(30(37)39)28-20(2)35-38(21(28)3)24-9-6-7-10-24)18-32-31(34-29)33-23-12-14-25(15-13-23)40-26-11-8-16-36(4)19-26;1-18(2)37-27-20(16-24(29(37)38)26-19(3)40-28(34-26)25-6-5-13-31-25)17-32-30(35-27)33-21-7-9-22(10-8-21)39-23-11-14-36(4)15-12-23;/h5-10,16-18,20,25-26,35H,3-4,11-15,19H2,1-2H3,(H,36,38,39);3,6-10,15-16,18,22,24,30,34H,4-5,11-14,17,19-20H2,1-2H3,(H,35,36,37);12-15,17-18,24,26H,5-11,16,19H2,1-4H3,(H,32,33,34);7-10,16-18,23,25,31H,5-6,11-15H2,1-4H3,(H,32,33,35);1H2.

What are the key properties of 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate?

6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate has a molecular weight of 2344.01 g/mol, XLogP of 20.47, 29 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(4-methyl-2-pyrrolidin-3-ylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-2-pyrrolidin-2-yl-1,3-thiazol-4-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;hydrate is sourced from PubChem (CID 158481999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).