2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C101H106N10O — CID 158546618

About 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158546618) has the molecular formula C101H106N10O and a molecular weight of 1476.03 g/mol. Its IUPAC name is 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 158546618
• Molecular Formula: C101H106N10O
• Molecular Weight: 1476.03 g/mol
• Exact Mass: 1474.86
• IUPAC Name: 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2ccccc2c1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2ccccc2c1.COc1cc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)ccn1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc4c(ccn4C)c3)CCC2)CCN(C)C1
• InChI: InChI=1S/C27H29N3.2C26H26N2.C22H25N3O/c1-18-7-9-26-22(15-18)23-17-28(2)13-12-27(23)30(26)25-6-4-5-21(25)19-8-10-24-20(16-19)11-14-29(24)3;2*1-18-8-11-25-23(14-18)24-17-27(3)13-12-26(24)28(25)16-19(2)21-10-9-20-6-4-5-7-22(20)15-21;1-15-5-6-20-18(11-15)19-14-24(3)10-8-21(19)25(20)13-16(2)17-7-9-23-22(12-17)26-4/h7-11,14-16H,4-6,12-13,17H2,1-3H3;2*4-11,14-16H,12-13,17H2,1-3H3;5-7,9,11-13H,8,10,14H2,1-4H3/b;19-16+;19-16-;16-13+
• InChIKey: HPEPOQVBQOFIQE-VTTDHFFWSA-N
• XLogP: 22.56
• TPSA: 59.73 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1476.03
LogP ≤ 5	22.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158546618) is 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2ccccc2c1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2ccccc2c1.COc1cc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)ccn1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc4c(ccn4C)c3)CCC2)CCN(C)C1.

What is the InChIKey of 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is HPEPOQVBQOFIQE-VTTDHFFWSA-N. The full InChI is InChI=1S/C27H29N3.2C26H26N2.C22H25N3O/c1-18-7-9-26-22(15-18)23-17-28(2)13-12-27(23)30(26)25-6-4-5-21(25)19-8-10-24-20(16-19)11-14-29(24)3;2*1-18-8-11-25-23(14-18)24-17-27(3)13-12-26(24)28(25)16-19(2)21-10-9-20-6-4-5-7-22(20)15-21;1-15-5-6-20-18(11-15)19-14-24(3)10-8-21(19)25(20)13-16(2)17-7-9-23-22(12-17)26-4/h7-11,14-16H,4-6,12-13,17H2,1-3H3;2*4-11,14-16H,12-13,17H2,1-3H3;5-7,9,11-13H,8,10,14H2,1-4H3/b;19-16+;19-16-;16-13+.

What are the key properties of 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1476.03 g/mol, XLogP of 22.56, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158546618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).