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

C20H18F2N4O4 — CID 155167196

IUPAC5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(Nc1cc2cc(C3CCOCC3)nn2cc1C(=O)O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18F2N4O4/c21-18(22)14-2-1-3-15(23-14)19(27)24-17-9-12-8-16(11-4-6-30-7-5-11)25-26(12)10-13(17)20(28)29/h1-3,8-11,18H,4-7H2,(H,24,27)(H,28,29)
InChIKeyCJXPAPCZSOQSHX-UHFFFAOYSA-N
MW416.38 g/mol
LogP3.51
Rot. Bonds5

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

5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 155167196) has the molecular formula C20H18F2N4O4 and a molecular weight of 416.38 g/mol. Its IUPAC name is 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID155167196
Molecular FormulaC20H18F2N4O4
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC Name5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(Nc1cc2cc(C3CCOCC3)nn2cc1C(=O)O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18F2N4O4/c21-18(22)14-2-1-3-15(23-14)19(27)24-17-9-12-8-16(11-4-6-30-7-5-11)25-26(12)10-13(17)20(28)29/h1-3,8-11,18H,4-7H2,(H,24,27)(H,28,29)
InChIKeyCJXPAPCZSOQSHX-UHFFFAOYSA-N
XLogP3.51
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid (CID 155167196) is 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid is O=C(Nc1cc2cc(C3CCOCC3)nn2cc1C(=O)O)c1cccc(C(F)F)n1.
What is the InChIKey of 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is CJXPAPCZSOQSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4/c21-18(22)14-2-1-3-15(23-14)19(27)24-17-9-12-8-16(11-4-6-30-7-5-11)25-26(12)10-13(17)20(28)29/h1-3,8-11,18H,4-7H2,(H,24,27)(H,28,29).
What are the key properties of 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid?
5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 416.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 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-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 155167196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).