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

C19H19N3O2 — CID 159391759

IUPAC6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)nn2c1
InChIInChI=1S/C19H19N3O2/c1-12-6-7-16-14(10-13-4-3-5-15(20-13)18(23)24)17(19(2)8-9-19)21-22(16)11-12/h3-7,11H,8-10H2,1-2H3,(H,23,24)
InChIKeyUMLBEJFNYQGSQN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.38
Rot. Bonds4

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

6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 159391759) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID159391759
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)nn2c1
InChIInChI=1S/C19H19N3O2/c1-12-6-7-16-14(10-13-4-3-5-15(20-13)18(23)24)17(19(2)8-9-19)21-22(16)11-12/h3-7,11H,8-10H2,1-2H3,(H,23,24)
InChIKeyUMLBEJFNYQGSQN-UHFFFAOYSA-N
XLogP3.38
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (CID 159391759) is 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)nn2c1.
What is the InChIKey of 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is UMLBEJFNYQGSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-6-7-16-14(10-13-4-3-5-15(20-13)18(23)24)17(19(2)8-9-19)21-22(16)11-12/h3-7,11H,8-10H2,1-2H3,(H,23,24).
What are the key properties of 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 159391759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).