3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

C13H19N3O2 — CID 117150692

IUPAC3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2c(cnc2CC2CCCN2)C1
InChIInChI=1S/C13H19N3O2/c17-13(18)9-3-5-16-11(6-9)8-15-12(16)7-10-2-1-4-14-10/h8-10,14H,1-7H2,(H,17,18)
InChIKeyIREQKWUUXHPZBW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.82
Rot. Bonds3

About 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117150692) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117150692
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2c(cnc2CC2CCCN2)C1
InChIInChI=1S/C13H19N3O2/c17-13(18)9-3-5-16-11(6-9)8-15-12(16)7-10-2-1-4-14-10/h8-10,14H,1-7H2,(H,17,18)
InChIKeyIREQKWUUXHPZBW-UHFFFAOYSA-N
XLogP0.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117150706
3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117150721
3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117148607
3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83636150
6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine
CID 105459599
(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 97003386
5-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252949
3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151426
3-(pyrrolidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117151206
6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584
[3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138282
bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone
CID 174669277

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 117150692) is 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)C1CCn2c(cnc2CC2CCCN2)C1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is IREQKWUUXHPZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(18)9-3-5-16-11(6-9)8-15-12(16)7-10-2-1-4-14-10/h8-10,14H,1-7H2,(H,17,18).
What are the key properties of 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117150692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).