1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone

C97H125Cl3N16O8S — CID 159845248

About 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone

1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone (PubChem CID 159845248) has the molecular formula C97H125Cl3N16O8S and a molecular weight of 1781.60 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone
• PubChem CID: 159845248
• Molecular Formula: C97H125Cl3N16O8S
• Molecular Weight: 1781.60 g/mol
• Exact Mass: 1778.87
• IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone
• SMILES: CC(=O)N1CCN(C(=O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)CC1.CC1CCCCN1C(=O)Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2.CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)N2CCS(=O)CC2)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCOCC2)CCN(C)C1
• InChI: InChI=1S/C20H25ClN4O2.C20H26ClN3O.C20H27N3O.C19H25N3O2.C18H22ClN3O2S/c1-14(26)23-7-9-24(10-8-23)20(27)13-25-18-4-3-15(21)11-16(18)17-12-22(2)6-5-19(17)25;1-14-5-3-4-9-23(14)20(25)13-24-18-7-6-15(21)11-16(18)17-12-22(2)10-8-19(17)24;1-15-6-7-18-16(12-15)17-13-21(2)11-8-19(17)23(18)14-20(24)22-9-4-3-5-10-22;1-14-3-4-17-15(11-14)16-12-20(2)6-5-18(16)22(17)13-19(23)21-7-9-24-10-8-21;1-20-5-4-17-15(11-20)14-10-13(19)2-3-16(14)22(17)12-18(23)21-6-8-25(24)9-7-21/h3-4,11H,5-10,12-13H2,1-2H3;6-7,11,14H,3-5,8-10,12-13H2,1-2H3;6-7,12H,3-5,8-11,13-14H2,1-2H3;3-4,11H,5-10,12-13H2,1-2H3;2-3,10H,4-9,11-12H2,1H3
• InChIKey: NPFDXWMSDKESJA-UHFFFAOYSA-N
• XLogP: 12.28
• TPSA: 189.01 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.60
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone?

The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone (CID 159845248) is 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone.

What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone?

The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone is CC(=O)N1CCN(C(=O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)CC1.CC1CCCCN1C(=O)Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2.CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)N2CCS(=O)CC2)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(=O)N2CCOCC2)CCN(C)C1.

What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone?

The InChIKey is NPFDXWMSDKESJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2.C20H26ClN3O.C20H27N3O.C19H25N3O2.C18H22ClN3O2S/c1-14(26)23-7-9-24(10-8-23)20(27)13-25-18-4-3-15(21)11-16(18)17-12-22(2)6-5-19(17)25;1-14-5-3-4-9-23(14)20(25)13-24-18-7-6-15(21)11-16(18)17-12-22(2)10-8-19(17)24;1-15-6-7-18-16(12-15)17-13-21(2)11-8-19(17)23(18)14-20(24)22-9-4-3-5-10-22;1-14-3-4-17-15(11-14)16-12-20(2)6-5-18(16)22(17)13-19(23)21-7-9-24-10-8-21;1-20-5-4-17-15(11-20)14-10-13(19)2-3-16(14)22(17)12-18(23)21-6-8-25(24)9-7-21/h3-4,11H,5-10,12-13H2,1-2H3;6-7,11,14H,3-5,8-10,12-13H2,1-2H3;6-7,12H,3-5,8-11,13-14H2,1-2H3;3-4,11H,5-10,12-13H2,1-2H3;2-3,10H,4-9,11-12H2,1H3.

What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone?

1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone has a molecular weight of 1781.60 g/mol, XLogP of 12.28, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-acetylpiperazin-1-yl)-2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-morpholin-4-ylethanone;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 159845248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).