6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C14H17N3O3 — CID 117255271

IUPAC6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)nc(CN3CCCC3)n2c1
InChIInChI=1S/C14H17N3O3/c1-20-10-4-5-11-13(14(18)19)15-12(17(11)8-10)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyPJHAOBLMPJVJQC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.64
Rot. Bonds4

About 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255271) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255271
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)nc(CN3CCCC3)n2c1
InChIInChI=1S/C14H17N3O3/c1-20-10-4-5-11-13(14(18)19)15-12(17(11)8-10)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyPJHAOBLMPJVJQC-UHFFFAOYSA-N
XLogP1.64
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255271) is 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is COc1ccc2c(C(=O)O)nc(CN3CCCC3)n2c1.
What is the InChIKey of 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is PJHAOBLMPJVJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-10-4-5-11-13(14(18)19)15-12(17(11)8-10)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).