1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid

C13H13F2N3O2 — CID 66727183

IUPAC1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1cnn2C1CCC(F)(F)CC1
InChIInChI=1S/C13H13F2N3O2/c14-13(15)3-1-8(2-4-13)18-11-7-16-5-10(12(19)20)9(11)6-17-18/h5-8H,1-4H2,(H,19,20)
InChIKeyIHHIHRLTWMSBIJ-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.88
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid

1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid (PubChem CID 66727183) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
PubChem CID66727183
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1cnn2C1CCC(F)(F)CC1
InChIInChI=1S/C13H13F2N3O2/c14-13(15)3-1-8(2-4-13)18-11-7-16-5-10(12(19)20)9(11)6-17-18/h5-8H,1-4H2,(H,19,20)
InChIKeyIHHIHRLTWMSBIJ-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
The IUPAC name of 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid (CID 66727183) is 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid is O=C(O)c1cncc2c1cnn2C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
The InChIKey is IHHIHRLTWMSBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c14-13(15)3-1-8(2-4-13)18-11-7-16-5-10(12(19)20)9(11)6-17-18/h5-8H,1-4H2,(H,19,20).
What are the key properties of 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid has a molecular weight of 281.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 66727183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).