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

C18H18ClN3O2 — CID 123463167

IUPAC6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCC(C)Cc1nn2cc(Cl)ccc2c1Cc1cccc(C(=O)O)n1
InChIInChI=1S/C18H18ClN3O2/c1-11(2)8-16-14(17-7-6-12(19)10-22(17)21-16)9-13-4-3-5-15(20-13)18(23)24/h3-7,10-11H,8-9H2,1-2H3,(H,23,24)
InChIKeyVHIJGULBWQCDOS-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.87
Rot. Bonds5

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

6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 123463167) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID123463167
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCC(C)Cc1nn2cc(Cl)ccc2c1Cc1cccc(C(=O)O)n1
InChIInChI=1S/C18H18ClN3O2/c1-11(2)8-16-14(17-7-6-12(19)10-22(17)21-16)9-13-4-3-5-15(20-13)18(23)24/h3-7,10-11H,8-9H2,1-2H3,(H,23,24)
InChIKeyVHIJGULBWQCDOS-UHFFFAOYSA-N
XLogP3.87
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.87
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-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (CID 123463167) is 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is CC(C)Cc1nn2cc(Cl)ccc2c1Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is VHIJGULBWQCDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11(2)8-16-14(17-7-6-12(19)10-22(17)21-16)9-13-4-3-5-15(20-13)18(23)24/h3-7,10-11H,8-9H2,1-2H3,(H,23,24).
What are the key properties of 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 343.81 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123463167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).