2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid

C20H17F3N4O4 — CID 155186546

IUPAC2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(Nc1cc2cc(C3CCOCC3)nn2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)17-3-1-2-14(24-17)18(28)25-16-9-12-8-15(11-4-6-31-7-5-11)26-27(12)10-13(16)19(29)30/h1-3,8-11H,4-7H2,(H,25,28)(H,29,30)
InChIKeyJVERBKSSEVXVEQ-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.59
Rot. Bonds4

About 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid

2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 155186546) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID155186546
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC Name2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(Nc1cc2cc(C3CCOCC3)nn2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)17-3-1-2-14(24-17)18(28)25-16-9-12-8-15(11-4-6-31-7-5-11)26-27(12)10-13(16)19(29)30/h1-3,8-11H,4-7H2,(H,25,28)(H,29,30)
InChIKeyJVERBKSSEVXVEQ-UHFFFAOYSA-N
XLogP3.59
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (CID 155186546) is 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is O=C(Nc1cc2cc(C3CCOCC3)nn2cc1C(=O)O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is JVERBKSSEVXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c21-20(22,23)17-3-1-2-14(24-17)18(28)25-16-9-12-8-15(11-4-6-31-7-5-11)26-27(12)10-13(16)19(29)30/h1-3,8-11H,4-7H2,(H,25,28)(H,29,30).
What are the key properties of 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 434.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 155186546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).