5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole

C89H101FN12O2 — CID 159132403

About 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole

5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole (PubChem CID 159132403) has the molecular formula C89H101FN12O2 and a molecular weight of 1389.87 g/mol. Its IUPAC name is 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole
• PubChem CID: 159132403
• Molecular Formula: C89H101FN12O2
• Molecular Weight: 1389.87 g/mol
• Exact Mass: 1388.82
• IUPAC Name: 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole
• SMILES: C/C(=C\n1c2c(c3cc(C)ccc31)C(C)(C)N(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(F)nc1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc(C)nc3)CCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(=O)[nH]c2)CCN(C)C1
• InChI: InChI=1S/C24H27N3.C23H27N3.C21H22FN3.C21H25N3O2/c1-16-7-10-23-20(13-16)21-15-26(3)12-11-24(21)27(23)22-6-4-5-19(22)18-9-8-17(2)25-14-18;1-16-6-7-20-19(14-16)22-21(10-13-25(5)23(22,3)4)26(20)15-17(2)18-8-11-24-12-9-18;1-14-4-6-19-17(10-14)18-13-24(3)9-8-20(18)25(19)12-15(2)16-5-7-21(22)23-11-16;1-14-4-6-18-16(10-14)17-12-23(3)9-8-19(17)24(18)13-21(2,26)15-5-7-20(25)22-11-15/h7-10,13-14H,4-6,11-12,15H2,1-3H3;6-9,11-12,14-15H,10,13H2,1-5H3;4-7,10-12H,8-9,13H2,1-3H3;4-7,10-11,26H,8-9,12-13H2,1-3H3,(H,22,25)/b;17-15+;15-12+
• InChIKey: KHBHIQVWDXYSHA-VLRIZCKPSA-N
• XLogP: 17.30
• TPSA: 124.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1389.87
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole?

The IUPAC name of 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole (CID 159132403) is 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole.

What is the SMILES notation for 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole?

The canonical SMILES for 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(C)ccc31)C(C)(C)N(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(F)nc1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc(C)nc3)CCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(=O)[nH]c2)CCN(C)C1.

What is the InChIKey of 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole?

The InChIKey is KHBHIQVWDXYSHA-VLRIZCKPSA-N. The full InChI is InChI=1S/C24H27N3.C23H27N3.C21H22FN3.C21H25N3O2/c1-16-7-10-23-20(13-16)21-15-26(3)12-11-24(21)27(23)22-6-4-5-19(22)18-9-8-17(2)25-14-18;1-16-6-7-20-19(14-16)22-21(10-13-25(5)23(22,3)4)26(20)15-17(2)18-8-11-24-12-9-18;1-14-4-6-19-17(10-14)18-13-24(3)9-8-20(18)25(19)12-15(2)16-5-7-21(22)23-11-16;1-14-4-6-18-16(10-14)17-12-23(3)9-8-19(17)24(18)13-21(2,26)15-5-7-20(25)22-11-15/h7-10,13-14H,4-6,11-12,15H2,1-3H3;6-9,11-12,14-15H,10,13H2,1-5H3;4-7,10-12H,8-9,13H2,1-3H3;4-7,10-11,26H,8-9,12-13H2,1-3H3,(H,22,25)/b;17-15+;15-12+;.

What are the key properties of 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole?

5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole has a molecular weight of 1389.87 g/mol, XLogP of 17.30, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;1,1,2,8-tetramethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 159132403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).