5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C105H118F3N27O2 — CID 158469213

About 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide

5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 158469213) has the molecular formula C105H118F3N27O2 and a molecular weight of 1847.28 g/mol. Its IUPAC name is 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide
• PubChem CID: 158469213
• Molecular Formula: C105H118F3N27O2
• Molecular Weight: 1847.28 g/mol
• Exact Mass: 1845.99
• IUPAC Name: 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide
• SMILES: CNC(=O)C(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccc(C)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(N=[N+]=[N-])c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(N=[N+]=[N-])c2ccncc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(N=[N+]=[N-])c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C23H25F3N4O.C22H26N4O.C21H24N6.C20H22N6.C19H21N7/c1-14-4-6-19-16(10-14)18-12-29(3)9-8-20(18)30(19)13-17(22(31)27-2)15-5-7-21(28-11-15)23(24,25)26;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;1-15-6-7-19-17(11-15)18-13-26(3)10-8-20(18)27(19)14-21(2,24-25-22)16-5-4-9-23-12-16;1-14-3-4-19-16(11-14)17-12-25(2)10-7-20(17)26(19)13-18(23-24-21)15-5-8-22-9-6-15;1-13-9-15-16-11-25(2)8-5-18(16)26(19(15)22-10-13)12-17(23-24-20)14-3-6-21-7-4-14/h4-7,10-11,17H,8-9,12-13H2,1-3H3,(H,27,31);4-7,10-11,18H,8-9,12-13H2,1-3H3,(H2,23,27);4-7,9,11-12H,8,10,13-14H2,1-3H3;3-6,8-9,11,18H,7,10,12-13H2,1-2H3;3-4,6-7,9-10,17H,5,8,11-12H2,1-2H3
• InChIKey: HGDHUVXKZUVQSK-UHFFFAOYSA-N
• XLogP: 19.51
• TPSA: 336.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.28
LogP ≤ 5	19.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

The IUPAC name of 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 158469213) is 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

What is the SMILES notation for 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

The canonical SMILES for 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CNC(=O)C(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccc(C)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(N=[N+]=[N-])c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(N=[N+]=[N-])c2ccncc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(N=[N+]=[N-])c2ccncc2)CCN(C)C1.

What is the InChIKey of 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

The InChIKey is HGDHUVXKZUVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O.C22H26N4O.C21H24N6.C20H22N6.C19H21N7/c1-14-4-6-19-16(10-14)18-12-29(3)9-8-20(18)30(19)13-17(22(31)27-2)15-5-7-21(28-11-15)23(24,25)26;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;1-15-6-7-19-17(11-15)18-13-26(3)10-8-20(18)27(19)14-21(2,24-25-22)16-5-4-9-23-12-16;1-14-3-4-19-16(11-14)17-12-25(2)10-7-20(17)26(19)13-18(23-24-21)15-5-8-22-9-6-15;1-13-9-15-16-11-25(2)8-5-18(16)26(19(15)22-10-13)12-17(23-24-20)14-3-6-21-7-4-14/h4-7,10-11,17H,8-9,12-13H2,1-3H3,(H,27,31);4-7,10-11,18H,8-9,12-13H2,1-3H3,(H2,23,27);4-7,9,11-12H,8,10,13-14H2,1-3H3;3-6,8-9,11,18H,7,10,12-13H2,1-2H3;3-4,6-7,9-10,17H,5,8,11-12H2,1-2H3.

What are the key properties of 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 1847.28 g/mol, XLogP of 19.51, 20 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-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-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 158469213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).