5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C126H134N12O2S2 — CID 157413079

About 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 157413079) has the molecular formula C126H134N12O2S2 and a molecular weight of 1912.67 g/mol. Its IUPAC name is 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 157413079
• Molecular Formula: C126H134N12O2S2
• Molecular Weight: 1912.67 g/mol
• Exact Mass: 1911.02
• IUPAC Name: 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C/C(=C\n1c2c(c3cc(C)cc(C)c31)CN(C)CC2)c1cccc(S(C)(=O)=O)c1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2cnccc2c1.Cc1ccc2c(c1)c1c(n2C2=C(c3cc4ccccc4s3)CCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C2=C(c3cccc4ccccc34)CCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C2=C(c3cccn3C)CCC2)CCN(C)C1
• InChI: InChI=1S/C28H28N2.C26H26N2S.C25H25N3.C24H28N2O2S.C23H27N3/c1-19-13-14-27-24(17-19)25-18-29(2)16-15-28(25)30(27)26-12-6-11-23(26)22-10-5-8-20-7-3-4-9-21(20)22;1-17-10-11-23-20(14-17)21-16-27(2)13-12-24(21)28(23)22-8-5-7-19(22)26-15-18-6-3-4-9-25(18)29-26;1-17-4-7-24-22(12-17)23-16-27(3)11-9-25(23)28(24)15-18(2)19-5-6-21-14-26-10-8-20(21)13-19;1-16-11-17(2)24-21(12-16)22-15-25(4)10-9-23(22)26(24)14-18(3)19-7-6-8-20(13-19)29(5,27)28;1-16-9-10-22-18(14-16)19-15-24(2)13-11-23(19)26(22)21-7-4-6-17(21)20-8-5-12-25(20)3/h3-5,7-10,13-14,17H,6,11-12,15-16,18H2,1-2H3;3-4,6,9-11,14-15H,5,7-8,12-13,16H2,1-2H3;4-8,10,12-15H,9,11,16H2,1-3H3;6-8,11-14H,9-10,15H2,1-5H3;5,8-10,12,14H,4,6-7,11,13,15H2,1-3H3/b;;18-15+;18-14+
• InChIKey: BONDDGQQAUWHLH-ISCWIIEZSA-N
• XLogP: 28.35
• TPSA: 92.81 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1912.67
LogP ≤ 5	28.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 157413079) is 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(C)cc(C)c31)CN(C)CC2)c1cccc(S(C)(=O)=O)c1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2cnccc2c1.Cc1ccc2c(c1)c1c(n2C2=C(c3cc4ccccc4s3)CCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C2=C(c3cccc4ccccc34)CCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C2=C(c3cccn3C)CCC2)CCN(C)C1.

What is the InChIKey of 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is BONDDGQQAUWHLH-ISCWIIEZSA-N. The full InChI is InChI=1S/C28H28N2.C26H26N2S.C25H25N3.C24H28N2O2S.C23H27N3/c1-19-13-14-27-24(17-19)25-18-29(2)16-15-28(25)30(27)26-12-6-11-23(26)22-10-5-8-20-7-3-4-9-21(20)22;1-17-10-11-23-20(14-17)21-16-27(2)13-12-24(21)28(23)22-8-5-7-19(22)26-15-18-6-3-4-9-25(18)29-26;1-17-4-7-24-22(12-17)23-16-27(3)11-9-25(23)28(24)15-18(2)19-5-6-21-14-26-10-8-20(21)13-19;1-16-11-17(2)24-21(12-16)22-15-25(4)10-9-23(22)26(24)14-18(3)19-7-6-8-20(13-19)29(5,27)28;1-16-9-10-22-18(14-16)19-15-24(2)13-11-23(19)26(22)21-7-4-6-17(21)20-8-5-12-25(20)3/h3-5,7-10,13-14,17H,6,11-12,15-16,18H2,1-2H3;3-4,6,9-11,14-15H,5,7-8,12-13,16H2,1-2H3;4-8,10,12-15H,9,11,16H2,1-3H3;6-8,11-14H,9-10,15H2,1-5H3;5,8-10,12,14H,4,6-7,11,13,15H2,1-3H3/b;;18-15+;18-14+;.

What are the key properties of 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1912.67 g/mol, XLogP of 28.35, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(1-benzothiophen-2-yl)cyclopenten-1-yl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(1-methylpyrrol-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-naphthalen-1-ylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-isoquinolin-6-ylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 157413079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).