4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline

C84H89Cl5N12S — CID 159031153

About 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline

4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline (PubChem CID 159031153) has the molecular formula C84H89Cl5N12S and a molecular weight of 1476.05 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline
• PubChem CID: 159031153
• Molecular Formula: C84H89Cl5N12S
• Molecular Weight: 1476.05 g/mol
• Exact Mass: 1472.55
• IUPAC Name: 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline
• SMILES: Cc1ccc(CCn2c3c(c4c(Cl)ccc(Cl)c42)CN(C)CC3)cn1.Cc1ccc(CCn2c3c(c4cc(Cl)c(Cl)cc42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2CCc2nc(-c3ccc(Cl)cc3)cs2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CNc2ccccc2)CCN(C)C1
• InChI: InChI=1S/C24H24ClN3S.2C20H21Cl2N3.C20H23N3/c1-16-3-8-22-19(13-16)20-14-27(2)11-9-23(20)28(22)12-10-24-26-21(15-29-24)17-4-6-18(25)7-5-17;1-13-3-4-14(11-23-13)5-8-25-19-6-7-24(2)12-16(19)15-9-17(21)18(22)10-20(15)25;1-13-3-4-14(11-23-13)7-10-25-18-8-9-24(2)12-15(18)19-16(21)5-6-17(22)20(19)25;1-15-8-9-19-17(12-15)18-13-22(2)11-10-20(18)23(19)14-21-16-6-4-3-5-7-16/h3-8,13,15H,9-12,14H2,1-2H3;3-4,9-11H,5-8,12H2,1-2H3;3-6,11H,7-10,12H2,1-2H3;3-9,12,21H,10-11,13-14H2,1-2H3
• InChIKey: JUXBSRGCQJBWQM-UHFFFAOYSA-N
• XLogP: 19.73
• TPSA: 83.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1476.05
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline?

The IUPAC name of 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline (CID 159031153) is 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline.

What is the SMILES notation for 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline?

The canonical SMILES for 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline is Cc1ccc(CCn2c3c(c4c(Cl)ccc(Cl)c42)CN(C)CC3)cn1.Cc1ccc(CCn2c3c(c4cc(Cl)c(Cl)cc42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2CCc2nc(-c3ccc(Cl)cc3)cs2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CNc2ccccc2)CCN(C)C1.

What is the InChIKey of 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline?

The InChIKey is JUXBSRGCQJBWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3S.2C20H21Cl2N3.C20H23N3/c1-16-3-8-22-19(13-16)20-14-27(2)11-9-23(20)28(22)12-10-24-26-21(15-29-24)17-4-6-18(25)7-5-17;1-13-3-4-14(11-23-13)5-8-25-19-6-7-24(2)12-16(19)15-9-17(21)18(22)10-20(15)25;1-13-3-4-14(11-23-13)7-10-25-18-8-9-24(2)12-15(18)19-16(21)5-6-17(22)20(19)25;1-15-8-9-19-17(12-15)18-13-22(2)11-10-20(18)23(19)14-21-16-6-4-3-5-7-16/h3-8,13,15H,9-12,14H2,1-2H3;3-4,9-11H,5-8,12H2,1-2H3;3-6,11H,7-10,12H2,1-2H3;3-9,12,21H,10-11,13-14H2,1-2H3.

What are the key properties of 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline?

4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline has a molecular weight of 1476.05 g/mol, XLogP of 19.73, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-2-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1,3-thiazole;6,9-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;7,8-dichloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]aniline is sourced from PubChem (CID 159031153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).