1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide

C16H16FN5O2S — CID 170319319

IUPAC1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CN(c2cc3nn(-c4ccc(F)cc4)cc3cn2)C1
InChIInChI=1S/C16H16FN5O2S/c1-18-25(23,24)14-9-21(10-14)16-6-15-11(7-19-16)8-22(20-15)13-4-2-12(17)3-5-13/h2-8,14,18H,9-10H2,1H3
InChIKeyJOFZILXEXHZPAH-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.30
Rot. Bonds4

About 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide

1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide (PubChem CID 170319319) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide
PubChem CID170319319
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC Name1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CN(c2cc3nn(-c4ccc(F)cc4)cc3cn2)C1
InChIInChI=1S/C16H16FN5O2S/c1-18-25(23,24)14-9-21(10-14)16-6-15-11(7-19-16)8-22(20-15)13-4-2-12(17)3-5-13/h2-8,14,18H,9-10H2,1H3
InChIKeyJOFZILXEXHZPAH-UHFFFAOYSA-N
XLogP1.30
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide (CID 170319319) is 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide is CNS(=O)(=O)C1CN(c2cc3nn(-c4ccc(F)cc4)cc3cn2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide?
The InChIKey is JOFZILXEXHZPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c1-18-25(23,24)14-9-21(10-14)16-6-15-11(7-19-16)8-22(20-15)13-4-2-12(17)3-5-13/h2-8,14,18H,9-10H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide?
1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide has a molecular weight of 361.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide is sourced from PubChem (CID 170319319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).