4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C20H17ClN4O — CID 135583825

IUPAC4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2ccccc2Cl)c2c(n[nH]c2-c2ccco2)N1
InChIInChI=1S/C20H17ClN4O/c1-2-6-15-13(11-22)17(12-7-3-4-8-14(12)21)18-19(16-9-5-10-26-16)24-25-20(18)23-15/h3-5,7-10,17H,2,6H2,1H3,(H2,23,24,25)
InChIKeyPSAOBPHAWACWPT-UHFFFAOYSA-N
MW364.84 g/mol
LogP5.46
Rot. Bonds4

About 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 135583825) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID135583825
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2ccccc2Cl)c2c(n[nH]c2-c2ccco2)N1
InChIInChI=1S/C20H17ClN4O/c1-2-6-15-13(11-22)17(12-7-3-4-8-14(12)21)18-19(16-9-5-10-26-16)24-25-20(18)23-15/h3-5,7-10,17H,2,6H2,1H3,(H2,23,24,25)
InChIKeyPSAOBPHAWACWPT-UHFFFAOYSA-N
XLogP5.46
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.84
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-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-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 135583825) is 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is CCCC1=C(C#N)C(c2ccccc2Cl)c2c(n[nH]c2-c2ccco2)N1.
What is the InChIKey of 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is PSAOBPHAWACWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-2-6-15-13(11-22)17(12-7-3-4-8-14(12)21)18-19(16-9-5-10-26-16)24-25-20(18)23-15/h3-5,7-10,17H,2,6H2,1H3,(H2,23,24,25).
What are the key properties of 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 364.84 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).