5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid

C20H20F2N4O4 — CID 155166588

IUPAC5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(C(=O)O)cn2n1
InChIInChI=1S/C20H20F2N4O4/c1-20(2,30)7-6-11-8-12-9-16(13(19(28)29)10-26(12)25-11)24-18(27)15-5-3-4-14(23-15)17(21)22/h3-5,8-10,17,30H,6-7H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyHNFGTMFGEVIJPG-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.32
Rot. Bonds7

About 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid

5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 155166588) has the molecular formula C20H20F2N4O4 and a molecular weight of 418.40 g/mol. Its IUPAC name is 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID155166588
Molecular FormulaC20H20F2N4O4
Molecular Weight418.40 g/mol
Exact Mass418.15
IUPAC Name5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(C(=O)O)cn2n1
InChIInChI=1S/C20H20F2N4O4/c1-20(2,30)7-6-11-8-12-9-16(13(19(28)29)10-26(12)25-11)24-18(27)15-5-3-4-14(23-15)17(21)22/h3-5,8-10,17,30H,6-7H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyHNFGTMFGEVIJPG-UHFFFAOYSA-N
XLogP3.32
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid 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 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid (CID 155166588) is 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid is CC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(C(=O)O)cn2n1.
What is the InChIKey of 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is HNFGTMFGEVIJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c1-20(2,30)7-6-11-8-12-9-16(13(19(28)29)10-26(12)25-11)24-18(27)15-5-3-4-14(23-15)17(21)22/h3-5,8-10,17,30H,6-7H2,1-2H3,(H,24,27)(H,28,29).
What are the key properties of 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid?
5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 418.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 155166588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).