2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C19H22N4 — CID 54583938

IUPAC2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cnccn2)CCN(C)C1
InChIInChI=1S/C19H22N4/c1-14-3-4-18-16(11-14)17-13-22(2)9-6-19(17)23(18)10-5-15-12-20-7-8-21-15/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3
InChIKeyDUUHEGAGOHEODE-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds3

About 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 54583938) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID54583938
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cnccn2)CCN(C)C1
InChIInChI=1S/C19H22N4/c1-14-3-4-18-16(11-14)17-13-22(2)9-6-19(17)23(18)10-5-15-12-20-7-8-21-15/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3
InChIKeyDUUHEGAGOHEODE-UHFFFAOYSA-N
XLogP2.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 54583938) is 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2CCc2cnccn2)CCN(C)C1.
What is the InChIKey of 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is DUUHEGAGOHEODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-3-4-18-16(11-14)17-13-22(2)9-6-19(17)23(18)10-5-15-12-20-7-8-21-15/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3.
What are the key properties of 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 306.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 54583938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).