3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid

C14H11N3O2 — CID 117158533

IUPAC3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESNc1ccn2c(-c3cccc(C(=O)O)c3)ncc2c1
InChIInChI=1S/C14H11N3O2/c15-11-4-5-17-12(7-11)8-16-13(17)9-2-1-3-10(6-9)14(18)19/h1-8H,15H2,(H,18,19)
InChIKeySXWBKDDXCJCTSG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.28
Rot. Bonds2

About 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid

3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid (PubChem CID 117158533) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid
PubChem CID117158533
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESNc1ccn2c(-c3cccc(C(=O)O)c3)ncc2c1
InChIInChI=1S/C14H11N3O2/c15-11-4-5-17-12(7-11)8-16-13(17)9-2-1-3-10(6-9)14(18)19/h1-8H,15H2,(H,18,19)
InChIKeySXWBKDDXCJCTSG-UHFFFAOYSA-N
XLogP2.28
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid (CID 117158533) is 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid is Nc1ccn2c(-c3cccc(C(=O)O)c3)ncc2c1.
What is the InChIKey of 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The InChIKey is SXWBKDDXCJCTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-11-4-5-17-12(7-11)8-16-13(17)9-2-1-3-10(6-9)14(18)19/h1-8H,15H2,(H,18,19).
What are the key properties of 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid?
3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 117158533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).