2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C25H25N3 — CID 67379209

About 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 67379209) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 67379209
• Molecular Formula: C25H25N3
• Molecular Weight: 367.50 g/mol
• Exact Mass: 367.20
• IUPAC Name: 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: Cc1ccc2c(c1)c1c(n2-c2ccccc2-c2ccc(C)nc2)CCN(C)C1
• InChI: InChI=1S/C25H25N3/c1-17-8-11-24-21(14-17)22-16-27(3)13-12-25(22)28(24)23-7-5-4-6-20(23)19-10-9-18(2)26-15-19/h4-11,14-15H,12-13,16H2,1-3H3
• InChIKey: LWJSOMKPTKGQLE-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.50
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 67379209) is 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2-c2ccccc2-c2ccc(C)nc2)CCN(C)C1.

What is the InChIKey of 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is LWJSOMKPTKGQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-17-8-11-24-21(14-17)22-16-27(3)13-12-25(22)28(24)23-7-5-4-6-20(23)19-10-9-18(2)26-15-19/h4-11,14-15H,12-13,16H2,1-3H3.

What are the key properties of 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 367.50 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 67379209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).