3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide

C21H21F3N4O4S — CID 162359001

IUPAC3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2cnc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C21H21F3N4O4S/c1-11(2)28-17-7-16(19(29)26-21(3)9-33(30,31)10-21)25-8-14(17)18(27-28)13-6-12(32-20(23)24)4-5-15(13)22/h4-8,11,20H,9-10H2,1-3H3,(H,26,29)
InChIKeyRZHJFZPBOLGLOK-UHFFFAOYSA-N
MW482.48 g/mol
LogP3.34
Rot. Bonds6

About 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide

3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 162359001) has the molecular formula C21H21F3N4O4S and a molecular weight of 482.48 g/mol. Its IUPAC name is 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
PubChem CID162359001
Molecular FormulaC21H21F3N4O4S
Molecular Weight482.48 g/mol
Exact Mass482.12
IUPAC Name3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2cnc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C21H21F3N4O4S/c1-11(2)28-17-7-16(19(29)26-21(3)9-33(30,31)10-21)25-8-14(17)18(27-28)13-6-12(32-20(23)24)4-5-15(13)22/h4-8,11,20H,9-10H2,1-3H3,(H,26,29)
InChIKeyRZHJFZPBOLGLOK-UHFFFAOYSA-N
XLogP3.34
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-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 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
The IUPAC name of 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide (CID 162359001) is 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
The canonical SMILES for 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide is CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2cnc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.
What is the InChIKey of 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
The InChIKey is RZHJFZPBOLGLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4S/c1-11(2)28-17-7-16(19(29)26-21(3)9-33(30,31)10-21)25-8-14(17)18(27-28)13-6-12(32-20(23)24)4-5-15(13)22/h4-8,11,20H,9-10H2,1-3H3,(H,26,29).
What are the key properties of 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 482.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 162359001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).