6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C12H12F2N4O2 — CID 169016619

IUPAC6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(N3CCC(F)(F)CC3)ncc12
InChIInChI=1S/C12H12F2N4O2/c13-12(14)1-3-18(4-2-12)9-5-8-7(6-15-9)10(11(19)20)17-16-8/h5-6H,1-4H2,(H,16,17)(H,19,20)
InChIKeyALXOJUMIYILEHK-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.89
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 169016619) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID169016619
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(N3CCC(F)(F)CC3)ncc12
InChIInChI=1S/C12H12F2N4O2/c13-12(14)1-3-18(4-2-12)9-5-8-7(6-15-9)10(11(19)20)17-16-8/h5-6H,1-4H2,(H,16,17)(H,19,20)
InChIKeyALXOJUMIYILEHK-UHFFFAOYSA-N
XLogP1.89
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 66828915
1-Pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2999822
1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 14140174
1-Methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 14140175
1H-Pyrazolo(4,3-c)pyridine-3-carboxylic acid
CID 46912079
5-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 84070246
4-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 178343928
1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 12018217
(R)-4-((3-methyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazole-3-carboxylic acid
CID 58486578
5-Fluoro-1h-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 60150279
4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 66897084
3-Pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 67132917

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 169016619) is 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1n[nH]c2cc(N3CCC(F)(F)CC3)ncc12.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is ALXOJUMIYILEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c13-12(14)1-3-18(4-2-12)9-5-8-7(6-15-9)10(11(19)20)17-16-8/h5-6H,1-4H2,(H,16,17)(H,19,20).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 282.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 169016619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).