2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole

C89H101N11O — CID 161397006

About 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole

2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole (PubChem CID 161397006) has the molecular formula C89H101N11O and a molecular weight of 1340.86 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole
• PubChem CID: 161397006
• Molecular Formula: C89H101N11O
• Molecular Weight: 1340.86 g/mol
• Exact Mass: 1339.82
• IUPAC Name: 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole
• SMILES: C/C(=C\n1c2c(c3cc(C)ccc31)CCCC2)c1ccc(C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2(C)C)c1ccc(C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3cc(CO)ccc31)CN(C)CC2)c1ccc(C)nc1
• InChI: InChI=1S/C24H29N3.C22H25N3O.C22H24N2.C21H23N3/c1-16-7-10-22-20(11-16)21-14-26(6)15-24(4,5)23(21)27(22)13-17(2)19-9-8-18(3)25-12-19;1-15(18-6-4-16(2)23-11-18)12-25-21-7-5-17(14-26)10-19(21)20-13-24(3)9-8-22(20)25;1-15-8-11-22-20(12-15)19-6-4-5-7-21(19)24(22)14-16(2)18-10-9-17(3)23-13-18;1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17/h7-13H,14-15H2,1-6H3;4-7,10-12,26H,8-9,13-14H2,1-3H3;8-14H,4-7H2,1-3H3;4-7,9-10,12-13H,8,11,14H2,1-3H3/b17-13+;15-12+;16-14+;16-13+
• InChIKey: VTSQVVGXUFRBAI-OEGQZSOGSA-N
• XLogP: 19.14
• TPSA: 101.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1340.86
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole?

The IUPAC name of 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole (CID 161397006) is 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole.

What is the SMILES notation for 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole?

The canonical SMILES for 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(C)ccc31)CCCC2)c1ccc(C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2(C)C)c1ccc(C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3cc(CO)ccc31)CN(C)CC2)c1ccc(C)nc1.

What is the InChIKey of 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole?

The InChIKey is VTSQVVGXUFRBAI-OEGQZSOGSA-N. The full InChI is InChI=1S/C24H29N3.C22H25N3O.C22H24N2.C21H23N3/c1-16-7-10-22-20(11-16)21-14-26(6)15-24(4,5)23(21)27(22)13-17(2)19-9-8-18(3)25-12-19;1-15(18-6-4-16(2)23-11-18)12-25-21-7-5-17(14-26)10-19(21)20-13-24(3)9-8-22(20)25;1-15-8-11-22-20(12-15)19-6-4-5-7-21(19)24(22)14-16(2)18-10-9-17(3)23-13-18;1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17/h7-13H,14-15H2,1-6H3;4-7,10-12,26H,8-9,13-14H2,1-3H3;8-14H,4-7H2,1-3H3;4-7,9-10,12-13H,8,11,14H2,1-3H3/b17-13+;15-12+;16-14+;16-13+.

What are the key properties of 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole?

2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole has a molecular weight of 1340.86 g/mol, XLogP of 19.14, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;[2-methyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanol;6-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,2,3,4-tetrahydrocarbazole;2,4,4,8-tetramethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-1,3-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 161397006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).