4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C16H14ClFN4 — CID 135584053

IUPAC4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2ccc(F)cc2Cl)c2cn[nH]c2N1
InChIInChI=1S/C16H14ClFN4/c1-2-3-14-11(7-19)15(12-8-20-22-16(12)21-14)10-5-4-9(18)6-13(10)17/h4-6,8,15H,2-3H2,1H3,(H2,20,21,22)
InChIKeyCLIAZHOETOFFKB-UHFFFAOYSA-N
MW316.77 g/mol
LogP4.34
Rot. Bonds3

About 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135584053) has the molecular formula C16H14ClFN4 and a molecular weight of 316.77 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135584053
Molecular FormulaC16H14ClFN4
Molecular Weight316.77 g/mol
Exact Mass316.09
IUPAC Name4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2ccc(F)cc2Cl)c2cn[nH]c2N1
InChIInChI=1S/C16H14ClFN4/c1-2-3-14-11(7-19)15(12-8-20-22-16(12)21-14)10-5-4-9(18)6-13(10)17/h4-6,8,15H,2-3H2,1H3,(H2,20,21,22)
InChIKeyCLIAZHOETOFFKB-UHFFFAOYSA-N
XLogP4.34
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-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 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135584053) is 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CCCC1=C(C#N)C(c2ccc(F)cc2Cl)c2cn[nH]c2N1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is CLIAZHOETOFFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4/c1-2-3-14-11(7-19)15(12-8-20-22-16(12)21-14)10-5-4-9(18)6-13(10)17/h4-6,8,15H,2-3H2,1H3,(H2,20,21,22).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 316.77 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135584053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).