5-methylpyrido[4,3-a]indolizine-10-carbonitrile

C13H9N3 — CID 15684073

IUPAC5-methylpyrido[4,3-a]indolizine-10-carbonitrile
SMILESCc1cccn2c(C#N)c3cnccc3c12
InChIInChI=1S/C13H9N3/c1-9-3-2-6-16-12(7-14)11-8-15-5-4-10(11)13(9)16/h2-6,8H,1H3
InChIKeyWURKEGHNXAVRTP-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.67
Rot. Bonds

About 5-methylpyrido[4,3-a]indolizine-10-carbonitrile

5-methylpyrido[4,3-a]indolizine-10-carbonitrile (PubChem CID 15684073) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-methylpyrido[4,3-a]indolizine-10-carbonitrile.

Molecular Properties

Compound Name5-methylpyrido[4,3-a]indolizine-10-carbonitrile
PubChem CID15684073
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name5-methylpyrido[4,3-a]indolizine-10-carbonitrile
SMILESCc1cccn2c(C#N)c3cnccc3c12
InChIInChI=1S/C13H9N3/c1-9-3-2-6-16-12(7-14)11-8-15-5-4-10(11)13(9)16/h2-6,8H,1H3
InChIKeyWURKEGHNXAVRTP-UHFFFAOYSA-N
XLogP2.67
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methylpyrido[4,3-a]indolizine-10-carbonitrile 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 5-methylpyrido[4,3-a]indolizine-10-carbonitrile?
The IUPAC name of 5-methylpyrido[4,3-a]indolizine-10-carbonitrile (CID 15684073) is 5-methylpyrido[4,3-a]indolizine-10-carbonitrile.
What is the SMILES notation for 5-methylpyrido[4,3-a]indolizine-10-carbonitrile?
The canonical SMILES for 5-methylpyrido[4,3-a]indolizine-10-carbonitrile is Cc1cccn2c(C#N)c3cnccc3c12.
What is the InChIKey of 5-methylpyrido[4,3-a]indolizine-10-carbonitrile?
The InChIKey is WURKEGHNXAVRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c1-9-3-2-6-16-12(7-14)11-8-15-5-4-10(11)13(9)16/h2-6,8H,1H3.
What are the key properties of 5-methylpyrido[4,3-a]indolizine-10-carbonitrile?
5-methylpyrido[4,3-a]indolizine-10-carbonitrile has a molecular weight of 207.24 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrido[4,3-a]indolizine-10-carbonitrile is sourced from PubChem (CID 15684073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).