3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol

C84H101N13O4 — CID 158902556

About 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol

3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol (PubChem CID 158902556) has the molecular formula C84H101N13O4 and a molecular weight of 1356.82 g/mol. Its IUPAC name is 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol.

Molecular Properties

• Compound Name: 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol
• PubChem CID: 158902556
• Molecular Formula: C84H101N13O4
• Molecular Weight: 1356.82 g/mol
• Exact Mass: 1355.81
• IUPAC Name: 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol
• SMILES: Cc1ccc(CCn2c3c(c4cccnc42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc[nH]c2=O)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC(C)N(C)C1.Cc1ccc2c(c1C)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1
• InChI: InChI=1S/2C22H27N3O.C21H25N3O2.C19H22N4/c1-15-7-8-20-21(16(15)2)18-13-24(4)11-9-19(18)25(20)14-22(3,26)17-6-5-10-23-12-17;1-15-7-8-20-18(10-15)19-13-24(4)16(2)11-21(19)25(20)14-22(3,26)17-6-5-9-23-12-17;1-14-6-7-18-15(11-14)16-12-23(3)10-8-19(16)24(18)13-21(2,26)17-5-4-9-22-20(17)25;1-14-5-6-15(12-21-14)7-11-23-18-8-10-22(2)13-17(18)16-4-3-9-20-19(16)23/h5-8,10,12,26H,9,11,13-14H2,1-4H3;5-10,12,16,26H,11,13-14H2,1-4H3;4-7,9,11,26H,8,10,12-13H2,1-3H3,(H,22,25);3-6,9,12H,7-8,10-11,13H2,1-2H3
• InChIKey: JFQAEECUUDWVNO-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 177.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1356.82
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol?

The IUPAC name of 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol (CID 158902556) is 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol.

What is the SMILES notation for 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol?

The canonical SMILES for 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol is Cc1ccc(CCn2c3c(c4cccnc42)CN(C)CC3)cn1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc[nH]c2=O)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC(C)N(C)C1.Cc1ccc2c(c1C)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1.

What is the InChIKey of 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol?

The InChIKey is JFQAEECUUDWVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N3O.C21H25N3O2.C19H22N4/c1-15-7-8-20-21(16(15)2)18-13-24(4)11-9-19(18)25(20)14-22(3,26)17-6-5-10-23-12-17;1-15-7-8-20-18(10-15)19-13-24(4)16(2)11-21(19)25(20)14-22(3,26)17-6-5-9-23-12-17;1-14-6-7-18-15(11-14)16-12-23(3)10-8-19(16)24(18)13-21(2,26)17-5-4-9-22-20(17)25;1-14-5-6-15(12-21-14)7-11-23-18-8-10-22(2)13-17(18)16-4-3-9-20-19(16)23/h5-8,10,12,26H,9,11,13-14H2,1-4H3;5-10,12,16,26H,11,13-14H2,1-4H3;4-7,9,11,26H,8,10,12-13H2,1-3H3,(H,22,25);3-6,9,12H,7-8,10-11,13H2,1-2H3.

What are the key properties of 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol?

3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol has a molecular weight of 1356.82 g/mol, XLogP of 12.68, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol is sourced from PubChem (CID 158902556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).