6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C128H129Cl3N26O4S — CID 161133164

About 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161133164) has the molecular formula C128H129Cl3N26O4S and a molecular weight of 2234.04 g/mol. Its IUPAC name is 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161133164
• Molecular Formula: C128H129Cl3N26O4S
• Molecular Weight: 2234.04 g/mol
• Exact Mass: 2230.95
• IUPAC Name: 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3ccc(C)s3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc4c3C=CC4)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccn(C)c3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccn(C)c3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C35H33ClN6O.C31H32ClN7O.C31H31ClN6OS.C31H33N7O/c1-3-42-33-25(22-37-35(39-33)38-26-11-13-27(14-12-26)41-18-16-40(2)17-19-41)20-31(34(42)43)30-15-10-24(21-32(30)36)29-9-5-7-23-6-4-8-28(23)29;1-4-39-29-23(17-27(30(39)40)26-10-5-21(18-28(26)32)22-11-12-37(3)20-22)19-33-31(35-29)34-24-6-8-25(9-7-24)38-15-13-36(2)14-16-38;1-4-38-29-22(17-26(30(38)39)25-11-6-21(18-27(25)32)28-12-5-20(2)40-28)19-33-31(35-29)34-23-7-9-24(10-8-23)37-15-13-36(3)14-16-37;1-4-38-29-25(19-28(30(38)39)23-7-5-22(6-8-23)24-13-14-36(3)21-24)20-32-31(34-29)33-26-9-11-27(12-10-26)37-17-15-35(2)16-18-37/h4-5,7-15,20-22H,3,6,16-19H2,1-2H3,(H,37,38,39);5-12,17-20H,4,13-16H2,1-3H3,(H,33,34,35);5-12,17-19H,4,13-16H2,1-3H3,(H,33,34,35);5-14,19-21H,4,15-18H2,1-3H3,(H,32,33,34)
• InChIKey: UMLQGMMNHLJTIF-UHFFFAOYSA-N
• XLogP: 24.14
• TPSA: 275.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2234.04
LogP ≤ 5	24.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

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-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 161133164) is 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ccc(C)s3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc4c3C=CC4)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccn(C)c3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccn(C)c3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UMLQGMMNHLJTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33ClN6O.C31H32ClN7O.C31H31ClN6OS.C31H33N7O/c1-3-42-33-25(22-37-35(39-33)38-26-11-13-27(14-12-26)41-18-16-40(2)17-19-41)20-31(34(42)43)30-15-10-24(21-32(30)36)29-9-5-7-23-6-4-8-28(23)29;1-4-39-29-23(17-27(30(39)40)26-10-5-21(18-28(26)32)22-11-12-37(3)20-22)19-33-31(35-29)34-24-6-8-25(9-7-24)38-15-13-36(2)14-16-38;1-4-38-29-22(17-26(30(38)39)25-11-6-21(18-27(25)32)28-12-5-20(2)40-28)19-33-31(35-29)34-23-7-9-24(10-8-23)37-15-13-36(3)14-16-37;1-4-38-29-25(19-28(30(38)39)23-7-5-22(6-8-23)24-13-14-36(3)21-24)20-32-31(34-29)33-26-9-11-27(12-10-26)37-17-15-35(2)16-18-37/h4-5,7-15,20-22H,3,6,16-19H2,1-2H3,(H,37,38,39);5-12,17-20H,4,13-16H2,1-3H3,(H,33,34,35);5-12,17-19H,4,13-16H2,1-3H3,(H,33,34,35);5-14,19-21H,4,15-18H2,1-3H3,(H,32,33,34).

What are the key properties of 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2234.04 g/mol, XLogP of 24.14, 24 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methylthiophen-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161133164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).