2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile

C19H18N4S — CID 110458897

IUPAC2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile
SMILESCN1CCc2c(c(-c3cccs3)nn2-c2ccc(CC#N)cc2)C1
InChIInChI=1S/C19H18N4S/c1-22-11-9-17-16(13-22)19(18-3-2-12-24-18)21-23(17)15-6-4-14(5-7-15)8-10-20/h2-7,12H,8-9,11,13H2,1H3
InChIKeyMCLQQDDNXAMCRQ-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.65
Rot. Bonds3

About 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile

2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile (PubChem CID 110458897) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile
PubChem CID110458897
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile
SMILESCN1CCc2c(c(-c3cccs3)nn2-c2ccc(CC#N)cc2)C1
InChIInChI=1S/C19H18N4S/c1-22-11-9-17-16(13-22)19(18-3-2-12-24-18)21-23(17)15-6-4-14(5-7-15)8-10-20/h2-7,12H,8-9,11,13H2,1H3
InChIKeyMCLQQDDNXAMCRQ-UHFFFAOYSA-N
XLogP3.65
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile 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-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile (CID 110458897) is 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile is CN1CCc2c(c(-c3cccs3)nn2-c2ccc(CC#N)cc2)C1.
What is the InChIKey of 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile?
The InChIKey is MCLQQDDNXAMCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-22-11-9-17-16(13-22)19(18-3-2-12-24-18)21-23(17)15-6-4-14(5-7-15)8-10-20/h2-7,12H,8-9,11,13H2,1H3.
What are the key properties of 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile?
2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile has a molecular weight of 334.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 110458897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).