4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C18H18FN5 — CID 91105592

IUPAC4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1ccccc1F
InChIInChI=1S/C18H18FN5/c19-15-4-2-1-3-12(15)16-13(9-20)17(11-5-7-21-8-6-11)23-18-14(16)10-22-24-18/h1-4,10-11,13,16,21H,5-8H2,(H,22,24)
InChIKeyBMKGRVQOYKPYTA-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.91
Rot. Bonds2

About 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 91105592) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID91105592
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1ccccc1F
InChIInChI=1S/C18H18FN5/c19-15-4-2-1-3-12(15)16-13(9-20)17(11-5-7-21-8-6-11)23-18-14(16)10-22-24-18/h1-4,10-11,13,16,21H,5-8H2,(H,22,24)
InChIKeyBMKGRVQOYKPYTA-UHFFFAOYSA-N
XLogP2.91
TPSA76.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-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-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 91105592) is 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is BMKGRVQOYKPYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c19-15-4-2-1-3-12(15)16-13(9-20)17(11-5-7-21-8-6-11)23-18-14(16)10-22-24-18/h1-4,10-11,13,16,21H,5-8H2,(H,22,24).
What are the key properties of 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 323.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 91105592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).