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

C20H19F3N4O4 — CID 155167014

IUPAC2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cn2n1
InChIInChI=1S/C20H19F3N4O4/c1-19(2,31)7-6-11-8-12-9-15(13(18(29)30)10-27(12)26-11)25-17(28)14-4-3-5-16(24-14)20(21,22)23/h3-5,8-10,31H,6-7H2,1-2H3,(H,25,28)(H,29,30)
InChIKeyYJFSDIWOZJGYTF-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.40
Rot. Bonds6

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

2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 155167014) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID155167014
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cn2n1
InChIInChI=1S/C20H19F3N4O4/c1-19(2,31)7-6-11-8-12-9-15(13(18(29)30)10-27(12)26-11)25-17(28)14-4-3-5-16(24-14)20(21,22)23/h3-5,8-10,31H,6-7H2,1-2H3,(H,25,28)(H,29,30)
InChIKeyYJFSDIWOZJGYTF-UHFFFAOYSA-N
XLogP3.40
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (CID 155167014) is 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is CC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cn2n1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is YJFSDIWOZJGYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c1-19(2,31)7-6-11-8-12-9-15(13(18(29)30)10-27(12)26-11)25-17(28)14-4-3-5-16(24-14)20(21,22)23/h3-5,8-10,31H,6-7H2,1-2H3,(H,25,28)(H,29,30).
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 436.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 155167014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).