6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C121H120Cl4N28O4S3 — CID 157389672

About 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157389672) has the molecular formula C121H120Cl4N28O4S3 and a molecular weight of 2268.50 g/mol. Its IUPAC name is 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157389672
• Molecular Formula: C121H120Cl4N28O4S3
• Molecular Weight: 2268.50 g/mol
• Exact Mass: 2264.80
• IUPAC Name: 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3ccc[nH]3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc21
• InChI: InChI=1S/C31H30ClN7OS.C31H32ClN7OS.C30H30ClN7O.C29H28ClN7OS/c1-2-39-29-21(15-26(30(39)40)25-10-3-20(16-27(25)32)28-18-41-19-34-28)17-33-31(36-29)35-22-4-6-23(7-5-22)37-11-13-38(14-12-37)24-8-9-24;1-4-39-29-22(15-26(30(39)40)25-10-5-21(16-27(25)32)28-18-41-19-34-28)17-33-31(36-29)35-23-6-8-24(9-7-23)38-13-11-37(12-14-38)20(2)3;1-3-38-28-21(17-25(29(38)39)24-11-6-20(18-26(24)31)27-5-4-12-32-27)19-33-30(35-28)34-22-7-9-23(10-8-22)37-15-13-36(2)14-16-37;1-3-37-27-20(13-23(28(37)38)22-6-4-19(14-24(22)30)25-16-39-17-33-25)15-32-29(35-27)34-21-5-7-26(18(2)12-21)36-10-8-31-9-11-36/h3-7,10,15-19,24H,2,8-9,11-14H2,1H3,(H,33,35,36);5-10,15-20H,4,11-14H2,1-3H3,(H,33,35,36);4-12,17-19,32H,3,13-16H2,1-2H3,(H,33,34,35);4-7,12-17,31H,3,8-11H2,1-2H3,(H,32,34,35)
• InChIKey: BLVUXLHPJJNSKM-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 328.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2268.50
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

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-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 157389672) is 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ccc[nH]3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc21.

What is the InChIKey of 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BLVUXLHPJJNSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN7OS.C31H32ClN7OS.C30H30ClN7O.C29H28ClN7OS/c1-2-39-29-21(15-26(30(39)40)25-10-3-20(16-27(25)32)28-18-41-19-34-28)17-33-31(36-29)35-22-4-6-23(7-5-22)37-11-13-38(14-12-37)24-8-9-24;1-4-39-29-22(15-26(30(39)40)25-10-5-21(16-27(25)32)28-18-41-19-34-28)17-33-31(36-29)35-23-6-8-24(9-7-23)38-13-11-37(12-14-38)20(2)3;1-3-38-28-21(17-25(29(38)39)24-11-6-20(18-26(24)31)27-5-4-12-32-27)19-33-30(35-28)34-22-7-9-23(10-8-22)37-15-13-36(2)14-16-37;1-3-37-27-20(13-23(28(37)38)22-6-4-19(14-24(22)30)25-16-39-17-33-25)15-32-29(35-27)34-21-5-7-26(18(2)12-21)36-10-8-31-9-11-36/h3-7,10,15-19,24H,2,8-9,11-14H2,1H3,(H,33,35,36);5-10,15-20H,4,11-14H2,1-3H3,(H,33,35,36);4-12,17-19,32H,3,13-16H2,1-2H3,(H,33,34,35);4-7,12-17,31H,3,8-11H2,1-2H3,(H,32,34,35).

What are the key properties of 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2268.50 g/mol, XLogP of 24.15, 26 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157389672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).