3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide

C19H18F2N4O4S — CID 162358896

IUPAC3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCn1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C19H18F2N4O4S/c1-19(9-30(27,28)10-19)23-17(26)12-7-14-16(22-8-12)15(24-25(14)2)11-4-3-5-13(6-11)29-18(20)21/h3-8,18H,9-10H2,1-2H3,(H,23,26)
InChIKeyXTIKKCYHYOHYOJ-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.15
Rot. Bonds5

About 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide

3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162358896) has the molecular formula C19H18F2N4O4S and a molecular weight of 436.44 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162358896
Molecular FormulaC19H18F2N4O4S
Molecular Weight436.44 g/mol
Exact Mass436.10
IUPAC Name3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCn1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C19H18F2N4O4S/c1-19(9-30(27,28)10-19)23-17(26)12-7-14-16(22-8-12)15(24-25(14)2)11-4-3-5-13(6-11)29-18(20)21/h3-8,18H,9-10H2,1-2H3,(H,23,26)
InChIKeyXTIKKCYHYOHYOJ-UHFFFAOYSA-N
XLogP2.15
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]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-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide (CID 162358896) is 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide is Cn1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is XTIKKCYHYOHYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O4S/c1-19(9-30(27,28)10-19)23-17(26)12-7-14-16(22-8-12)15(24-25(14)2)11-4-3-5-13(6-11)29-18(20)21/h3-8,18H,9-10H2,1-2H3,(H,23,26).
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162358896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).