5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C113H138N20O4 — CID 158819681

About 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158819681) has the molecular formula C113H138N20O4 and a molecular weight of 1840.48 g/mol. Its IUPAC name is 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 158819681
• Molecular Formula: C113H138N20O4
• Molecular Weight: 1840.48 g/mol
• Exact Mass: 1839.12
• IUPAC Name: 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CCCOC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CN1CCc2c(c3ccccc3n2CC(N=[N+]=[N-])c2ccncc2)C1.Cc1ccc2c(c1)c1c(n2CC(C(=O)NC(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OCC(C)(C)C)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C25H32N4O.C25H33N3O.C23H29N3O.C21H24N4O.C19H20N6/c1-17-6-7-22-19(14-17)21-15-28(5)13-10-23(21)29(22)16-20(18-8-11-26-12-9-18)24(30)27-25(2,3)4;1-18-6-7-22-20(14-18)21-15-27(5)13-10-23(21)28(22)16-24(29-17-25(2,3)4)19-8-11-26-12-9-19;1-4-13-27-23(18-7-10-24-11-8-18)16-26-21-6-5-17(2)14-19(21)20-15-25(3)12-9-22(20)26;1-14-3-4-19-16(11-14)18-12-24(2)10-7-20(18)25(19)13-17(21(22)26)15-5-8-23-9-6-15;1-24-11-8-19-16(12-24)15-4-2-3-5-18(15)25(19)13-17(22-23-20)14-6-9-21-10-7-14/h6-9,11-12,14,20H,10,13,15-16H2,1-5H3,(H,27,30);6-9,11-12,14,24H,10,13,15-17H2,1-5H3;5-8,10-11,14,23H,4,9,12-13,15-16H2,1-3H3;3-6,8-9,11,17H,7,10,12-13H2,1-2H3,(H2,22,26);2-7,9-10,17H,8,11-13H2,1H3
• InChIKey: IVSAPGANSLUYHK-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 244.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.48
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158819681) is 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CCCOC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CN1CCc2c(c3ccccc3n2CC(N=[N+]=[N-])c2ccncc2)C1.Cc1ccc2c(c1)c1c(n2CC(C(=O)NC(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OCC(C)(C)C)c2ccncc2)CCN(C)C1.

What is the InChIKey of 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is IVSAPGANSLUYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O.C25H33N3O.C23H29N3O.C21H24N4O.C19H20N6/c1-17-6-7-22-19(14-17)21-15-28(5)13-10-23(21)29(22)16-20(18-8-11-26-12-9-18)24(30)27-25(2,3)4;1-18-6-7-22-20(14-18)21-15-27(5)13-10-23(21)28(22)16-24(29-17-25(2,3)4)19-8-11-26-12-9-19;1-4-13-27-23(18-7-10-24-11-8-18)16-26-21-6-5-17(2)14-19(21)20-15-25(3)12-9-22(20)26;1-14-3-4-19-16(11-14)18-12-24(2)10-7-20(18)25(19)13-17(21(22)26)15-5-8-23-9-6-15;1-24-11-8-19-16(12-24)15-4-2-3-5-18(15)25(19)13-17(22-23-20)14-6-9-21-10-7-14/h6-9,11-12,14,20H,10,13,15-16H2,1-5H3,(H,27,30);6-9,11-12,14,24H,10,13,15-17H2,1-5H3;5-8,10-11,14,23H,4,9,12-13,15-16H2,1-3H3;3-6,8-9,11,17H,7,10,12-13H2,1-2H3,(H2,22,26);2-7,9-10,17H,8,11-13H2,1H3.

What are the key properties of 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1840.48 g/mol, XLogP of 20.35, 23 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-azido-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158819681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).