6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C165H168Cl5N33O5S — CID 158358134

About 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158358134) has the molecular formula C165H168Cl5N33O5S and a molecular weight of 2902.72 g/mol. Its IUPAC name is 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158358134
• Molecular Formula: C165H168Cl5N33O5S
• Molecular Weight: 2902.72 g/mol
• Exact Mass: 2898.21
• IUPAC Name: 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3cc(C)ncn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cc(N(C)C)ccn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cc(NC4CC4)ncn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)c3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnc(C)s3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C34H35ClN8O.C34H36ClN7O.C34H34ClN5O.C32H32ClN7O.C31H31ClN6OS/c1-3-43-32-24(19-36-34(41-32)40-26-7-4-21(5-8-26)22-12-14-42(2)15-13-22)16-28(33(43)44)27-11-6-23(17-29(27)35)30-18-31(38-20-37-30)39-25-9-10-25;1-5-42-32-25(21-37-34(39-32)38-26-9-6-22(7-10-26)23-13-16-41(4)17-14-23)18-29(33(42)43)28-11-8-24(19-30(28)35)31-20-27(40(2)3)12-15-36-31;1-4-40-32-27(19-30(33(40)41)29-13-10-26(20-31(29)35)25-7-5-6-22(2)18-25)21-36-34(38-32)37-28-11-8-23(9-12-28)24-14-16-39(3)17-15-24;1-4-40-30-24(16-27(31(40)41)26-10-7-23(17-28(26)33)29-15-20(2)35-19-36-29)18-34-32(38-30)37-25-8-5-21(6-9-25)22-11-13-39(3)14-12-22;1-4-38-29-23(15-26(30(38)39)25-10-7-22(16-27(25)32)28-18-33-19(2)40-28)17-34-31(36-29)35-24-8-5-20(6-9-24)21-11-13-37(3)14-12-21/h4-8,11,16-20,22,25H,3,9-10,12-15H2,1-2H3,(H,36,40,41)(H,37,38,39);6-12,15,18-21,23H,5,13-14,16-17H2,1-4H3,(H,37,38,39);5-13,18-21,24H,4,14-17H2,1-3H3,(H,36,37,38);5-10,15-19,22H,4,11-14H2,1-3H3,(H,34,37,38);5-10,15-18,21H,4,11-14H2,1-3H3,(H,34,35,36)
• InChIKey: GTDCBBDNKKLZNO-UHFFFAOYSA-N
• XLogP: 34.76
• TPSA: 407.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2902.72
LogP ≤ 5	34.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158358134) is 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cc(C)ncn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cc(N(C)C)ccn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cc(NC4CC4)ncn3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)c3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnc(C)s3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GTDCBBDNKKLZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN8O.C34H36ClN7O.C34H34ClN5O.C32H32ClN7O.C31H31ClN6OS/c1-3-43-32-24(19-36-34(41-32)40-26-7-4-21(5-8-26)22-12-14-42(2)15-13-22)16-28(33(43)44)27-11-6-23(17-29(27)35)30-18-31(38-20-37-30)39-25-9-10-25;1-5-42-32-25(21-37-34(39-32)38-26-9-6-22(7-10-26)23-13-16-41(4)17-14-23)18-29(33(42)43)28-11-8-24(19-30(28)35)31-20-27(40(2)3)12-15-36-31;1-4-40-32-27(19-30(33(40)41)29-13-10-26(20-31(29)35)25-7-5-6-22(2)18-25)21-36-34(38-32)37-28-11-8-23(9-12-28)24-14-16-39(3)17-15-24;1-4-40-30-24(16-27(31(40)41)26-10-7-23(17-28(26)33)29-15-20(2)35-19-36-29)18-34-32(38-30)37-25-8-5-21(6-9-25)22-11-13-39(3)14-12-22;1-4-38-29-23(15-26(30(38)39)25-10-7-22(16-27(25)32)28-18-33-19(2)40-28)17-34-31(36-29)35-24-8-5-20(6-9-24)21-11-13-37(3)14-12-21/h4-8,11,16-20,22,25H,3,9-10,12-15H2,1-2H3,(H,36,40,41)(H,37,38,39);6-12,15,18-21,23H,5,13-14,16-17H2,1-4H3,(H,37,38,39);5-13,18-21,24H,4,14-17H2,1-3H3,(H,36,37,38);5-10,15-19,22H,4,11-14H2,1-3H3,(H,34,37,38);5-10,15-18,21H,4,11-14H2,1-3H3,(H,34,35,36).

What are the key properties of 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2902.72 g/mol, XLogP of 34.76, 33 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-[6-(cyclopropylamino)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[4-(dimethylamino)-2-pyridinyl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methylpyrimidin-4-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158358134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).