3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine

C17H15F2N3O4S — CID 162523937

IUPAC3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(-c2nccc3[nH]nc(OC(F)F)c23)ccc1S(=O)(=O)C1COC1
InChIInChI=1S/C17H15F2N3O4S/c1-9-6-10(2-3-13(9)27(23,24)11-7-25-8-11)15-14-12(4-5-20-15)21-22-16(14)26-17(18)19/h2-6,11,17H,7-8H2,1H3,(H,21,22)
InChIKeyHWKVBVOVRVKVBM-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.71
Rot. Bonds5

About 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine

3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 162523937) has the molecular formula C17H15F2N3O4S and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID162523937
Molecular FormulaC17H15F2N3O4S
Molecular Weight395.39 g/mol
Exact Mass395.08
IUPAC Name3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(-c2nccc3[nH]nc(OC(F)F)c23)ccc1S(=O)(=O)C1COC1
InChIInChI=1S/C17H15F2N3O4S/c1-9-6-10(2-3-13(9)27(23,24)11-7-25-8-11)15-14-12(4-5-20-15)21-22-16(14)26-17(18)19/h2-6,11,17H,7-8H2,1H3,(H,21,22)
InChIKeyHWKVBVOVRVKVBM-UHFFFAOYSA-N
XLogP2.71
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine (CID 162523937) is 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine is Cc1cc(-c2nccc3[nH]nc(OC(F)F)c23)ccc1S(=O)(=O)C1COC1.
What is the InChIKey of 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is HWKVBVOVRVKVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4S/c1-9-6-10(2-3-13(9)27(23,24)11-7-25-8-11)15-14-12(4-5-20-15)21-22-16(14)26-17(18)19/h2-6,11,17H,7-8H2,1H3,(H,21,22).
What are the key properties of 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 395.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-[3-methyl-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162523937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).