1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide

C17H20FN5O3S — CID 164616441

IUPAC1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCS(=O)(=O)N1CC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)C1
InChIInChI=1S/C17H20FN5O3S/c1-27(25,26)22-10-14(11-22)20-17(24)21-6-5-16-12(9-21)8-19-23(16)15-4-2-3-13(18)7-15/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,20,24)
InChIKeyZPVROHZRMJNSNA-UHFFFAOYSA-N
MW393.44 g/mol
LogP0.72
Rot. Bonds3

About 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide

1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 164616441) has the molecular formula C17H20FN5O3S and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
PubChem CID164616441
Molecular FormulaC17H20FN5O3S
Molecular Weight393.44 g/mol
Exact Mass393.13
IUPAC Name1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCS(=O)(=O)N1CC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)C1
InChIInChI=1S/C17H20FN5O3S/c1-27(25,26)22-10-14(11-22)20-17(24)21-6-5-16-12(9-21)8-19-23(16)15-4-2-3-13(18)7-15/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,20,24)
InChIKeyZPVROHZRMJNSNA-UHFFFAOYSA-N
XLogP0.72
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide 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 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (CID 164616441) is 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is CS(=O)(=O)N1CC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is ZPVROHZRMJNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3S/c1-27(25,26)22-10-14(11-22)20-17(24)21-6-5-16-12(9-21)8-19-23(16)15-4-2-3-13(18)7-15/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,20,24).
What are the key properties of 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 164616441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).