6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid

C20H20ClN3O2 — CID 123616733

IUPAC6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(C3CCCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H20ClN3O2/c21-14-9-10-18-16(11-15-7-4-8-17(22-15)20(25)26)19(23-24(18)12-14)13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,25,26)
InChIKeyVAHYFEWQXPLZAC-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.72
Rot. Bonds4

About 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid

6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 123616733) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID123616733
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(C3CCCCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H20ClN3O2/c21-14-9-10-18-16(11-15-7-4-8-17(22-15)20(25)26)19(23-24(18)12-14)13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,25,26)
InChIKeyVAHYFEWQXPLZAC-UHFFFAOYSA-N
XLogP4.72
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (CID 123616733) is 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(C3CCCCC3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is VAHYFEWQXPLZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-14-9-10-18-16(11-15-7-4-8-17(22-15)20(25)26)19(23-24(18)12-14)13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,25,26).
What are the key properties of 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 369.85 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123616733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).