1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide

C21H20F3N5O5S — CID 162359076

IUPAC1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C(N)=O)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C21H20F3N5O5S/c1-10(18(25)30)29-15-5-11(19(31)27-21(2)8-35(32,33)9-21)7-26-17(15)16(28-29)13-6-12(34-20(23)24)3-4-14(13)22/h3-7,10,20H,8-9H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyQYPWSZCESSIWJM-UHFFFAOYSA-N
MW511.48 g/mol
LogP1.80
Rot. Bonds7

About 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide

1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359076) has the molecular formula C21H20F3N5O5S and a molecular weight of 511.48 g/mol. Its IUPAC name is 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359076
Molecular FormulaC21H20F3N5O5S
Molecular Weight511.48 g/mol
Exact Mass511.11
IUPAC Name1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C(N)=O)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C21H20F3N5O5S/c1-10(18(25)30)29-15-5-11(19(31)27-21(2)8-35(32,33)9-21)7-26-17(15)16(28-29)13-6-12(34-20(23)24)3-4-14(13)22/h3-7,10,20H,8-9H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyQYPWSZCESSIWJM-UHFFFAOYSA-N
XLogP1.80
TPSA146.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-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 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359076) is 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide is CC(C(N)=O)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.
What is the InChIKey of 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is QYPWSZCESSIWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O5S/c1-10(18(25)30)29-15-5-11(19(31)27-21(2)8-35(32,33)9-21)7-26-17(15)16(28-29)13-6-12(34-20(23)24)3-4-14(13)22/h3-7,10,20H,8-9H2,1-2H3,(H2,25,30)(H,27,31).
What are the key properties of 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?
1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 511.48 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxopropan-2-yl)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).