2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide

C22H17F2N7O4S — CID 170553656

IUPAC2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide
SMILESCc1nn(-c2cc(S(=O)(=O)CC(N)=O)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C22H17F2N7O4S/c1-12-14-9-27-16(15-10-28-30-6-2-5-26-21(15)30)8-17(14)31(29-12)18-7-13(36(33,34)11-20(25)32)3-4-19(18)35-22(23)24/h2-10,22H,11H2,1H3,(H2,25,32)
InChIKeyYBPJJTJTSVPLTO-UHFFFAOYSA-N
MW513.49 g/mol
LogP2.30
Rot. Bonds7

About 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide

2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide (PubChem CID 170553656) has the molecular formula C22H17F2N7O4S and a molecular weight of 513.49 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide
PubChem CID170553656
Molecular FormulaC22H17F2N7O4S
Molecular Weight513.49 g/mol
Exact Mass513.10
IUPAC Name2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide
SMILESCc1nn(-c2cc(S(=O)(=O)CC(N)=O)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C22H17F2N7O4S/c1-12-14-9-27-16(15-10-28-30-6-2-5-26-21(15)30)8-17(14)31(29-12)18-7-13(36(33,34)11-20(25)32)3-4-19(18)35-22(23)24/h2-10,22H,11H2,1H3,(H2,25,32)
InChIKeyYBPJJTJTSVPLTO-UHFFFAOYSA-N
XLogP2.30
TPSA147.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide 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 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide?
The IUPAC name of 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide (CID 170553656) is 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide is Cc1nn(-c2cc(S(=O)(=O)CC(N)=O)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide?
The InChIKey is YBPJJTJTSVPLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O4S/c1-12-14-9-27-16(15-10-28-30-6-2-5-26-21(15)30)8-17(14)31(29-12)18-7-13(36(33,34)11-20(25)32)3-4-19(18)35-22(23)24/h2-10,22H,11H2,1H3,(H2,25,32).
What are the key properties of 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide?
2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide has a molecular weight of 513.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide is sourced from PubChem (CID 170553656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).