2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one

C152H159ClF2N36O9S — CID 159583136

About 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one

2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159583136) has the molecular formula C152H159ClF2N36O9S and a molecular weight of 2739.70 g/mol. Its IUPAC name is 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159583136
• Molecular Formula: C152H159ClF2N36O9S
• Molecular Weight: 2739.70 g/mol
• Exact Mass: 2737.25
• IUPAC Name: 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)n1c(=O)c(-c2cnc(C3=CCC=C3)nc2)cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc21.CC1CN(c2ccc(Nc3ncc4cc(-c5nc(C6=CCN=C6)cn5C)c(=O)n(CC5CC5)c4n3)cc2F)CCN1.CCn1c(=O)c(-c2ccc(C3CC3)cc2)cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5C)c(F)c4)nc3n(C3CCCC3)c2=O)ncn1-c1ccco1.Cc1cc(-c2cocn2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2CCOC2)c1=O
• InChI: InChI=1S/C31H30ClN7O3.C31H33FN8O2.C30H32FN9O.C30H31N7OS.C30H33N5O2/c1-19-12-20(27-17-42-18-35-27)2-4-24(19)25-13-21-15-34-31(37-29(21)39(30(25)40)23-6-11-41-16-23)36-22-3-5-28(26(32)14-22)38-9-7-33-8-10-38;1-19-16-33-11-12-38(19)26-10-9-22(15-25(26)32)36-31-34-17-21-14-24(28-20(2)39(18-35-28)27-8-5-13-42-27)30(41)40(29(21)37-31)23-6-3-4-7-23;1-18-15-39(10-9-33-18)26-6-5-22(12-24(26)31)35-30-34-14-21-11-23(29(41)40(27(21)37-30)16-19-3-4-19)28-36-25(17-38(28)2)20-7-8-32-13-20;1-19(2)37-28-22(14-25(29(37)38)23-16-31-27(32-17-23)21-6-4-5-7-21)15-33-30(35-28)34-24-10-8-20(9-11-24)26-18-36(3)12-13-39-26;1-3-35-28-23(18-27(29(35)36)22-8-6-21(7-9-22)20-4-5-20)19-31-30(33-28)32-24-10-12-25(13-11-24)37-26-14-16-34(2)17-15-26/h2-5,12-15,17-18,23,33H,6-11,16H2,1H3,(H,34,36,37);5,8-10,13-15,17-19,23,33H,3-4,6-7,11-12,16H2,1-2H3,(H,34,36,37);5-7,11-14,17-19,33H,3-4,8-10,15-16H2,1-2H3,(H,34,35,37);4,6-11,14-17,19,26H,5,12-13,18H2,1-3H3,(H,33,34,35);6-13,18-20,26H,3-5,14-17H2,1-2H3,(H,31,32,33)
• InChIKey: MJGSAYQEPRJWKG-UHFFFAOYSA-N
• XLogP: 25.49
• TPSA: 482.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 32
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2739.70
LogP ≤ 5	25.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one (CID 159583136) is 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(-c2cnc(C3=CCC=C3)nc2)cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc21.CC1CN(c2ccc(Nc3ncc4cc(-c5nc(C6=CCN=C6)cn5C)c(=O)n(CC5CC5)c4n3)cc2F)CCN1.CCn1c(=O)c(-c2ccc(C3CC3)cc2)cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5C)c(F)c4)nc3n(C3CCCC3)c2=O)ncn1-c1ccco1.Cc1cc(-c2cocn2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2CCOC2)c1=O.

What is the InChIKey of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MJGSAYQEPRJWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN7O3.C31H33FN8O2.C30H32FN9O.C30H31N7OS.C30H33N5O2/c1-19-12-20(27-17-42-18-35-27)2-4-24(19)25-13-21-15-34-31(37-29(21)39(30(25)40)23-6-11-41-16-23)36-22-3-5-28(26(32)14-22)38-9-7-33-8-10-38;1-19-16-33-11-12-38(19)26-10-9-22(15-25(26)32)36-31-34-17-21-14-24(28-20(2)39(18-35-28)27-8-5-13-42-27)30(41)40(29(21)37-31)23-6-3-4-7-23;1-18-15-39(10-9-33-18)26-6-5-22(12-24(26)31)35-30-34-14-21-11-23(29(41)40(27(21)37-30)16-19-3-4-19)28-36-25(17-38(28)2)20-7-8-32-13-20;1-19(2)37-28-22(14-25(29(37)38)23-16-31-27(32-17-23)21-6-4-5-7-21)15-33-30(35-28)34-24-10-8-20(9-11-24)26-18-36(3)12-13-39-26;1-3-35-28-23(18-27(29(35)36)22-8-6-21(7-9-22)20-4-5-20)19-31-30(33-28)32-24-10-12-25(13-11-24)37-26-14-16-34(2)17-15-26/h2-5,12-15,17-18,23,33H,6-11,16H2,1H3,(H,34,36,37);5,8-10,13-15,17-19,23,33H,3-4,6-7,11-12,16H2,1-2H3,(H,34,36,37);5-7,11-14,17-19,33H,3-4,8-10,15-16H2,1-2H3,(H,34,35,37);4,6-11,14-17,19,26H,5,12-13,18H2,1-3H3,(H,33,34,35);6-13,18-20,26H,3-5,14-17H2,1-2H3,(H,31,32,33).

What are the key properties of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one?

2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2739.70 g/mol, XLogP of 25.49, 32 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-piperazin-1-ylanilino)-6-[2-methyl-4-(1,3-oxazol-4-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopenta-1,4-dien-1-ylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[1-methyl-4-(2H-pyrrol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159583136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).