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

C14H17N3O2 — CID 117246922

IUPAC7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccn2c(CN3CCCC3)nc(C(=O)O)c2c1
InChIInChI=1S/C14H17N3O2/c1-10-4-7-17-11(8-10)13(14(18)19)15-12(17)9-16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3,(H,18,19)
InChIKeyZOLUATFHKVNSMO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.94
Rot. Bonds3

About 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117246922) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117246922
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccn2c(CN3CCCC3)nc(C(=O)O)c2c1
InChIInChI=1S/C14H17N3O2/c1-10-4-7-17-11(8-10)13(14(18)19)15-12(17)9-16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3,(H,18,19)
InChIKeyZOLUATFHKVNSMO-UHFFFAOYSA-N
XLogP1.94
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117246922) is 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is Cc1ccn2c(CN3CCCC3)nc(C(=O)O)c2c1.
What is the InChIKey of 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is ZOLUATFHKVNSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-4-7-17-11(8-10)13(14(18)19)15-12(17)9-16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3,(H,18,19).
What are the key properties of 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117246922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).