3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid

C13H15N3O2 — CID 117147381

IUPAC3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCN1CCC(c2ncc3c(C(=O)O)cccn23)C1
InChIInChI=1S/C13H15N3O2/c1-15-6-4-9(8-15)12-14-7-11-10(13(17)18)3-2-5-16(11)12/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18)
InChIKeyGSKCKXFSXNTMJO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.45
Rot. Bonds2

About 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid

3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117147381) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117147381
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCN1CCC(c2ncc3c(C(=O)O)cccn23)C1
InChIInChI=1S/C13H15N3O2/c1-15-6-4-9(8-15)12-14-7-11-10(13(17)18)3-2-5-16(11)12/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18)
InChIKeyGSKCKXFSXNTMJO-UHFFFAOYSA-N
XLogP1.45
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117146223
3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147415
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147480
3-(1-ethylpiperidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147552
methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
CID 117147778
1-chloro-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117250338
3-chloroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83831277
methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147437
3-ethylimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83829474
1-chloro-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-8-ol
CID 117252180
methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147463
1-bromo-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117250339

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid (CID 117147381) is 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid is CN1CCC(c2ncc3c(C(=O)O)cccn23)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is GSKCKXFSXNTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-15-6-4-9(8-15)12-14-7-11-10(13(17)18)3-2-5-16(11)12/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18).
What are the key properties of 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid?
3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117147381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).