2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C95H117N13O6 — CID 158686588

About 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158686588) has the molecular formula C95H117N13O6 and a molecular weight of 1537.07 g/mol. Its IUPAC name is 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 158686588
• Molecular Formula: C95H117N13O6
• Molecular Weight: 1537.07 g/mol
• Exact Mass: 1535.92
• IUPAC Name: 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CN1CCc2c(c3ccccc3n2CC(CC(C)(C)C)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2C(CC(C)(C)C)C(=O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(OC(N)=O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OCCCC(=O)O)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C25H31N3O.C24H29N3O3.C24H31N3.C22H26N4O2/c1-17-6-7-21-19(14-17)20-16-27(5)13-10-22(20)28(21)23(15-25(2,3)4)24(29)18-8-11-26-12-9-18;1-17-5-6-21-19(14-17)20-15-26(2)12-9-22(20)27(21)16-23(18-7-10-25-11-8-18)30-13-3-4-24(28)29;1-24(2,3)14-19(18-8-7-12-25-15-18)16-27-22-10-6-5-9-20(22)21-17-26(4)13-11-23(21)27;1-15-4-5-19-17(12-15)18-13-25(3)11-8-20(18)26(19)14-22(2,28-21(23)27)16-6-9-24-10-7-16/h6-9,11-12,14,23H,10,13,15-16H2,1-5H3;5-8,10-11,14,23H,3-4,9,12-13,15-16H2,1-2H3,(H,28,29);5-10,12,15,19H,11,13-14,16-17H2,1-4H3;4-7,9-10,12H,8,11,13-14H2,1-3H3,(H2,23,27)
• InChIKey: IFUVWUMENXBRQP-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 200.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.07
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158686588) is 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3ccccc3n2CC(CC(C)(C)C)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2C(CC(C)(C)C)C(=O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(OC(N)=O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OCCCC(=O)O)c2ccncc2)CCN(C)C1.

What is the InChIKey of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is IFUVWUMENXBRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O.C24H29N3O3.C24H31N3.C22H26N4O2/c1-17-6-7-21-19(14-17)20-16-27(5)13-10-22(20)28(21)23(15-25(2,3)4)24(29)18-8-11-26-12-9-18;1-17-5-6-21-19(14-17)20-15-26(2)12-9-22(20)27(21)16-23(18-7-10-25-11-8-18)30-13-3-4-24(28)29;1-24(2,3)14-19(18-8-7-12-25-15-18)16-27-22-10-6-5-9-20(22)21-17-26(4)13-11-23(21)27;1-15-4-5-19-17(12-15)18-13-25(3)11-8-20(18)26(19)14-22(2,28-21(23)27)16-6-9-24-10-7-16/h6-9,11-12,14,23H,10,13,15-16H2,1-5H3;5-8,10-11,14,23H,3-4,9,12-13,15-16H2,1-2H3,(H,28,29);5-10,12,15,19H,11,13-14,16-17H2,1-4H3;4-7,9-10,12H,8,11,13-14H2,1-3H3,(H2,23,27).

What are the key properties of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1537.07 g/mol, XLogP of 17.74, 20 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4,4-dimethyl-1-pyridin-4-ylpentan-1-one;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]butanoic acid;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-yl] carbamate;5-(4,4-dimethyl-2-pyridin-3-ylpentyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158686588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).