8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C101H104Cl2FN15 — CID 158273036

About 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158273036) has the molecular formula C101H104Cl2FN15 and a molecular weight of 1617.95 g/mol. Its IUPAC name is 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 158273036
• Molecular Formula: C101H104Cl2FN15
• Molecular Weight: 1617.95 g/mol
• Exact Mass: 1615.80
• IUPAC Name: 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1cccnc1.C/C(=C\n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3cc(F)ccc31)CN(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3ccccc31)CN(C)CC2)c1ccncc1
• InChI: InChI=1S/C21H23N3.2C20H20ClN3.C20H20FN3.C20H21N3/c1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17;1-14(15-5-8-22-9-6-15)12-24-19-4-3-16(21)11-17(19)18-13-23(2)10-7-20(18)24;1-14(15-4-3-8-22-11-15)12-24-19-6-5-16(21)10-17(19)18-13-23(2)9-7-20(18)24;1-14(15-5-8-22-9-6-15)12-24-19-4-3-16(21)11-17(19)18-13-23(2)10-7-20(18)24;1-15(16-7-10-21-11-8-16)13-23-19-6-4-3-5-17(19)18-14-22(2)12-9-20(18)23/h4-7,9-10,12-13H,8,11,14H2,1-3H3;3-6,8-9,11-12H,7,10,13H2,1-2H3;3-6,8,10-12H,7,9,13H2,1-2H3;3-6,8-9,11-12H,7,10,13H2,1-2H3;3-8,10-11,13H,9,12,14H2,1-2H3/b16-13+;3*14-12+;15-13+
• InChIKey: GJGWVXAQPMYQLH-QVQLWSBESA-N
• XLogP: 21.97
• TPSA: 105.30 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1617.95
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158273036) is 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1cccnc1.C/C(=C\n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3cc(F)ccc31)CN(C)CC2)c1ccncc1.C/C(=C\n1c2c(c3ccccc31)CN(C)CC2)c1ccncc1.

What is the InChIKey of 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is GJGWVXAQPMYQLH-QVQLWSBESA-N. The full InChI is InChI=1S/C21H23N3.2C20H20ClN3.C20H20FN3.C20H21N3/c1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17;1-14(15-5-8-22-9-6-15)12-24-19-4-3-16(21)11-17(19)18-13-23(2)10-7-20(18)24;1-14(15-4-3-8-22-11-15)12-24-19-6-5-16(21)10-17(19)18-13-23(2)9-7-20(18)24;1-14(15-5-8-22-9-6-15)12-24-19-4-3-16(21)11-17(19)18-13-23(2)10-7-20(18)24;1-15(16-7-10-21-11-8-16)13-23-19-6-4-3-5-17(19)18-14-22(2)12-9-20(18)23/h4-7,9-10,12-13H,8,11,14H2,1-3H3;3-6,8-9,11-12H,7,10,13H2,1-2H3;3-6,8,10-12H,7,9,13H2,1-2H3;3-6,8-9,11-12H,7,10,13H2,1-2H3;3-8,10-11,13H,9,12,14H2,1-2H3/b16-13+;3*14-12+;15-13+.

What are the key properties of 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1617.95 g/mol, XLogP of 21.97, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-methyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158273036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).