3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C87H99F4N13O2 — CID 158339379

About 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158339379) has the molecular formula C87H99F4N13O2 and a molecular weight of 1434.83 g/mol. Its IUPAC name is 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 158339379
• Molecular Formula: C87H99F4N13O2
• Molecular Weight: 1434.83 g/mol
• Exact Mass: 1433.80
• IUPAC Name: 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccc(C)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccc(F)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)c2ccc(C(F)(F)F)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C22H24F3N3.C22H24FN3O.C22H26N4O.C21H25N3/c1-14-4-6-19-17(10-14)18-13-27(3)9-8-20(18)28(19)12-15(2)16-5-7-21(26-11-16)22(23,24)25;1-14-3-8-20-17(11-14)19-12-25(2)10-9-21(19)26(20)13-18(22(24)27)15-4-6-16(23)7-5-15;1-14-4-7-20-17(10-14)19-12-25(3)9-8-21(19)26(20)13-18(22(23)27)16-6-5-15(2)24-11-16;1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17/h4-7,10-11,15H,8-9,12-13H2,1-3H3;3-8,11,18H,9-10,12-13H2,1-2H3,(H2,24,27);4-7,10-11,18H,8-9,12-13H2,1-3H3,(H2,23,27);4-7,9-10,12,16H,8,11,13-14H2,1-3H3
• InChIKey: GQYVVBYMRQZUKE-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 157.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.83
LogP ≤ 5	15.55
H-Bond Donors ≤ 5	2
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 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158339379) is 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccc(C)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccc(F)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)c2ccc(C(F)(F)F)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)c2ccncc2)CCN(C)C1.

What is the InChIKey of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is GQYVVBYMRQZUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3.C22H24FN3O.C22H26N4O.C21H25N3/c1-14-4-6-19-17(10-14)18-13-27(3)9-8-20(18)28(19)12-15(2)16-5-7-21(26-11-16)22(23,24)25;1-14-3-8-20-17(11-14)19-12-25(2)10-9-21(19)26(20)13-18(22(24)27)15-4-6-16(23)7-5-15;1-14-4-7-20-17(10-14)19-12-25(3)9-8-21(19)26(20)13-18(22(23)27)16-6-5-15(2)24-11-16;1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17/h4-7,10-11,15H,8-9,12-13H2,1-3H3;3-8,11,18H,9-10,12-13H2,1-2H3,(H2,24,27);4-7,10-11,18H,8-9,12-13H2,1-3H3,(H2,23,27);4-7,9-10,12,16H,8,11,13-14H2,1-3H3.

What are the key properties of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1434.83 g/mol, XLogP of 15.55, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158339379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).