2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile

C17H18N4 — CID 70905618

IUPAC2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1(CC1CCCc2cncn21)c1ccncc1
InChIInChI=1S/C17H18N4/c18-10-14-8-17(14,13-4-6-19-7-5-13)9-15-2-1-3-16-11-20-12-21(15)16/h4-7,11-12,14-15H,1-3,8-9H2
InChIKeyLEZPQCUEZDFFAM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.03
Rot. Bonds3

About 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile

2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile (PubChem CID 70905618) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile
PubChem CID70905618
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1(CC1CCCc2cncn21)c1ccncc1
InChIInChI=1S/C17H18N4/c18-10-14-8-17(14,13-4-6-19-7-5-13)9-15-2-1-3-16-11-20-12-21(15)16/h4-7,11-12,14-15H,1-3,8-9H2
InChIKeyLEZPQCUEZDFFAM-UHFFFAOYSA-N
XLogP3.03
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-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 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile (CID 70905618) is 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile is N#CC1CC1(CC1CCCc2cncn21)c1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile?
The InChIKey is LEZPQCUEZDFFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-10-14-8-17(14,13-4-6-19-7-5-13)9-15-2-1-3-16-11-20-12-21(15)16/h4-7,11-12,14-15H,1-3,8-9H2.
What are the key properties of 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile?
2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ylmethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 70905618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).