2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone

C82H111Cl2N13O4 — CID 157103381

About 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 157103381) has the molecular formula C82H111Cl2N13O4 and a molecular weight of 1413.78 g/mol. Its IUPAC name is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone
• PubChem CID: 157103381
• Molecular Formula: C82H111Cl2N13O4
• Molecular Weight: 1413.78 g/mol
• Exact Mass: 1411.83
• IUPAC Name: 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone
• SMILES: CC(C)N1CCN(C(=O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)CC1.CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)N2CCCCC2(C)C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCC(C)CC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCCC2)CCN(C)C1
• InChI: InChI=1S/C21H29ClN4O.C21H28ClN3O.C21H29N3O.C19H25N3O/c1-15(2)24-8-10-25(11-9-24)21(27)14-26-19-5-4-16(22)12-17(19)18-13-23(3)7-6-20(18)26;1-21(2)9-4-5-10-25(21)20(26)14-24-18-7-6-15(22)12-16(18)17-13-23(3)11-8-19(17)24;1-15-6-10-23(11-7-15)21(25)14-24-19-5-4-16(2)12-17(19)18-13-22(3)9-8-20(18)24;1-14-5-6-17-15(11-14)16-12-20(2)10-7-18(16)22(17)13-19(23)21-8-3-4-9-21/h4-5,12,15H,6-11,13-14H2,1-3H3;6-7,12H,4-5,8-11,13-14H2,1-3H3;4-5,12,15H,6-11,13-14H2,1-3H3;5-6,11H,3-4,7-10,12-13H2,1-2H3
• InChIKey: AGAGMJYGBUIWDJ-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 117.16 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.78
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	0
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 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone?

The IUPAC name of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone (CID 157103381) is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone.

What is the SMILES notation for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone?

The canonical SMILES for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone is CC(C)N1CCN(C(=O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)CC1.CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)N2CCCCC2(C)C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCC(C)CC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCCC2)CCN(C)C1.

What is the InChIKey of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone?

The InChIKey is AGAGMJYGBUIWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O.C21H28ClN3O.C21H29N3O.C19H25N3O/c1-15(2)24-8-10-25(11-9-24)21(27)14-26-19-5-4-16(22)12-17(19)18-13-23(3)7-6-20(18)26;1-21(2)9-4-5-10-25(21)20(26)14-24-18-7-6-15(22)12-16(18)17-13-23(3)11-8-19(17)24;1-15-6-10-23(11-7-15)21(25)14-24-19-5-4-16(2)12-17(19)18-13-22(3)9-8-20(18)24;1-14-5-6-17-15(11-14)16-12-20(2)10-7-18(16)22(17)13-19(23)21-8-3-4-9-21/h4-5,12,15H,6-11,13-14H2,1-3H3;6-7,12H,4-5,8-11,13-14H2,1-3H3;4-5,12,15H,6-11,13-14H2,1-3H3;5-6,11H,3-4,7-10,12-13H2,1-2H3.

What are the key properties of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone?

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 1413.78 g/mol, XLogP of 12.67, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2,2-dimethylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 157103381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).