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

C14H17N3O2 — CID 117255385

IUPAC6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccc2c(C(=O)O)nc(CN3CCCC3)n2c1
InChIInChI=1S/C14H17N3O2/c1-10-4-5-11-13(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)
InChIKeyORIHCJSXWHDYNF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.94
Rot. Bonds3

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

6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255385) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255385
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccc2c(C(=O)O)nc(CN3CCCC3)n2c1
InChIInChI=1S/C14H17N3O2/c1-10-4-5-11-13(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)
InChIKeyORIHCJSXWHDYNF-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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Related Compounds

6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255271
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255410
3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255381
6-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255302
2-[6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39119804
2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39119717
8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255601
3-(1,1-dioxothian-4-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251120
6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250975
3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247244
6-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253410

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255385) is 6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is Cc1ccc2c(C(=O)O)nc(CN3CCCC3)n2c1.
What is the InChIKey of 6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is ORIHCJSXWHDYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-4-5-11-13(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-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-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 6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).