6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C160H160Cl2FN37O9S — CID 159081887

About 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159081887) has the molecular formula C160H160Cl2FN37O9S and a molecular weight of 2867.26 g/mol. Its IUPAC name is 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159081887
• Molecular Formula: C160H160Cl2FN37O9S
• Molecular Weight: 2867.26 g/mol
• Exact Mass: 2864.23
• IUPAC Name: 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)n1c(=O)c(-c2ccc(-c3ccnn3C)cc2Cl)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CC(C)n1c(=O)c(-c2ccccc2-c2ccoc2)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21.Cc1cnc(-c2cc3cnc(Nc4ccc(NC5CCCN(C)C5)cc4)nc3n(CC3CCOCC3)c2=O)c(-c2ccccn2)c1.Cc1nn(-c2ccncc2)c(C)c1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(-c2nccs2)c1=O.Cn1cccc1-c1cnc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(CC3CC3)c2=O)c(Cl)c1
• InChI: InChI=1S/C36H40N8O2.C32H32ClN7O2.C31H32ClN7O2.C31H29N5O2.C30H27FN10OS/c1-24-18-30(32-7-3-4-14-37-32)33(38-20-24)31-19-26-21-39-36(42-34(26)44(35(31)45)22-25-12-16-46-17-13-25)41-28-10-8-27(9-11-28)40-29-6-5-15-43(2)23-29;1-39-14-2-3-28(39)21-16-27(33)29(35-17-21)26-15-22-18-36-32(38-30(22)40(31(26)41)19-20-4-5-20)37-23-6-8-24(9-7-23)42-25-10-12-34-13-11-25;1-19(2)39-29-21(16-26(30(39)40)25-9-4-20(17-27(25)32)28-12-15-35-38(28)3)18-34-31(37-29)36-22-5-7-23(8-6-22)41-24-10-13-33-14-11-24;1-20(2)36-29-24(17-28(30(36)37)27-6-4-3-5-26(27)23-13-16-38-19-23)18-33-31(35-29)34-25-9-7-21(8-10-25)22-11-14-32-15-12-22;1-18-26(19(2)41(38-18)22-5-7-32-8-6-22)23-15-20-17-35-29(37-27(20)40(28(23)42)30-34-11-14-43-30)36-21-3-4-25(24(31)16-21)39-12-9-33-10-13-39/h3-4,7-11,14,18-21,25,29,40H,5-6,12-13,15-17,22-23H2,1-2H3,(H,39,41,42);2-3,6-9,14-18,20,25,34H,4-5,10-13,19H2,1H3,(H,36,37,38);4-9,12,15-19,24,33H,10-11,13-14H2,1-3H3,(H,34,36,37);3-11,13,16-20,32H,12,14-15H2,1-2H3,(H,33,34,35);3-8,11,14-17,33H,9-10,12-13H2,1-2H3,(H,35,36,37)
• InChIKey: KAYPKFBGPPNHLL-UHFFFAOYSA-N
• XLogP: 28.48
• TPSA: 511.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 47
• Rotatable Bonds: 35
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2867.26
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	47

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-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 159081887) is 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(-c2ccc(-c3ccnn3C)cc2Cl)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CC(C)n1c(=O)c(-c2ccccc2-c2ccoc2)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21.Cc1cnc(-c2cc3cnc(Nc4ccc(NC5CCCN(C)C5)cc4)nc3n(CC3CCOCC3)c2=O)c(-c2ccccn2)c1.Cc1nn(-c2ccncc2)c(C)c1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(-c2nccs2)c1=O.Cn1cccc1-c1cnc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(CC3CC3)c2=O)c(Cl)c1.

What is the InChIKey of 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KAYPKFBGPPNHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N8O2.C32H32ClN7O2.C31H32ClN7O2.C31H29N5O2.C30H27FN10OS/c1-24-18-30(32-7-3-4-14-37-32)33(38-20-24)31-19-26-21-39-36(42-34(26)44(35(31)45)22-25-12-16-46-17-13-25)41-28-10-8-27(9-11-28)40-29-6-5-15-43(2)23-29;1-39-14-2-3-28(39)21-16-27(33)29(35-17-21)26-15-22-18-36-32(38-30(22)40(31(26)41)19-20-4-5-20)37-23-6-8-24(9-7-23)42-25-10-12-34-13-11-25;1-19(2)39-29-21(16-26(30(39)40)25-9-4-20(17-27(25)32)28-12-15-35-38(28)3)18-34-31(37-29)36-22-5-7-23(8-6-22)41-24-10-13-33-14-11-24;1-20(2)36-29-24(17-28(30(36)37)27-6-4-3-5-26(27)23-13-16-38-19-23)18-33-31(35-29)34-25-9-7-21(8-10-25)22-11-14-32-15-12-22;1-18-26(19(2)41(38-18)22-5-7-32-8-6-22)23-15-20-17-35-29(37-27(20)40(28(23)42)30-34-11-14-43-30)36-21-3-4-25(24(31)16-21)39-12-9-33-10-13-39/h3-4,7-11,14,18-21,25,29,40H,5-6,12-13,15-17,22-23H2,1-2H3,(H,39,41,42);2-3,6-9,14-18,20,25,34H,4-5,10-13,19H2,1H3,(H,36,37,38);4-9,12,15-19,24,33H,10-11,13-14H2,1-3H3,(H,34,36,37);3-11,13,16-20,32H,12,14-15H2,1-2H3,(H,33,34,35);3-8,11,14-17,33H,9-10,12-13H2,1-2H3,(H,35,36,37).

What are the key properties of 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2867.26 g/mol, XLogP of 28.48, 35 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159081887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).