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

C20H22FN5O2S — CID 170319364

IUPAC1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide
SMILESCN(C)S(=O)(=O)C1CN(c2cc3nn(-c4ccc(F)cc4)c(C4CC4)c3cn2)C1
InChIInChI=1S/C20H22FN5O2S/c1-24(2)29(27,28)16-11-25(12-16)19-9-18-17(10-22-19)20(13-3-4-13)26(23-18)15-7-5-14(21)6-8-15/h5-10,13,16H,3-4,11-12H2,1-2H3
InChIKeyBTMPOAOAJWRTNU-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.52
Rot. Bonds5

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

1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide (PubChem CID 170319364) has the molecular formula C20H22FN5O2S and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide
PubChem CID170319364
Molecular FormulaC20H22FN5O2S
Molecular Weight415.49 g/mol
Exact Mass415.15
IUPAC Name1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide
SMILESCN(C)S(=O)(=O)C1CN(c2cc3nn(-c4ccc(F)cc4)c(C4CC4)c3cn2)C1
InChIInChI=1S/C20H22FN5O2S/c1-24(2)29(27,28)16-11-25(12-16)19-9-18-17(10-22-19)20(13-3-4-13)26(23-18)15-7-5-14(21)6-8-15/h5-10,13,16H,3-4,11-12H2,1-2H3
InChIKeyBTMPOAOAJWRTNU-UHFFFAOYSA-N
XLogP2.52
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide 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-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide?
The IUPAC name of 1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide (CID 170319364) is 1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide.
What is the SMILES notation for 1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide?
The canonical SMILES for 1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide is CN(C)S(=O)(=O)C1CN(c2cc3nn(-c4ccc(F)cc4)c(C4CC4)c3cn2)C1.
What is the InChIKey of 1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide?
The InChIKey is BTMPOAOAJWRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2S/c1-24(2)29(27,28)16-11-25(12-16)19-9-18-17(10-22-19)20(13-3-4-13)26(23-18)15-7-5-14(21)6-8-15/h5-10,13,16H,3-4,11-12H2,1-2H3.
What are the key properties of 1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide?
1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide has a molecular weight of 415.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide is sourced from PubChem (CID 170319364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).