3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid

C14H15N3O2 — CID 117158698

IUPAC3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESNC1CCn2c(cnc2-c2cccc(C(=O)O)c2)C1
InChIInChI=1S/C14H15N3O2/c15-11-4-5-17-12(7-11)8-16-13(17)9-2-1-3-10(6-9)14(18)19/h1-3,6,8,11H,4-5,7,15H2,(H,18,19)
InChIKeyNZJZXNMFLIPRIH-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.52
Rot. Bonds2

About 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid

3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid (PubChem CID 117158698) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid
PubChem CID117158698
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESNC1CCn2c(cnc2-c2cccc(C(=O)O)c2)C1
InChIInChI=1S/C14H15N3O2/c15-11-4-5-17-12(7-11)8-16-13(17)9-2-1-3-10(6-9)14(18)19/h1-3,6,8,11H,4-5,7,15H2,(H,18,19)
InChIKeyNZJZXNMFLIPRIH-UHFFFAOYSA-N
XLogP1.52
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117158694
3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151730
3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158533
[(3S)-3-(hydroxymethyl)-2,2-dimethylthiomorpholin-4-yl]-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 166315965
3-(3,6-dimethylpyrazin-2-yl)benzoic acid
CID 118227401
3-(4,5-dimethyl-1,2,4-triazol-3-yl)benzoic acid
CID 62926892
[(7R)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 97339656
3-(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117158357
3-(5-amino-2-phenylpyrimidin-4-yl)benzoic acid
CID 174517025
[3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanol
CID 117151060
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-[5-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-pyridinyl]benzoic acid
CID 110112138

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid (CID 117158698) is 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid is NC1CCn2c(cnc2-c2cccc(C(=O)O)c2)C1.
What is the InChIKey of 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The InChIKey is NZJZXNMFLIPRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-11-4-5-17-12(7-11)8-16-13(17)9-2-1-3-10(6-9)14(18)19/h1-3,6,8,11H,4-5,7,15H2,(H,18,19).
What are the key properties of 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 117158698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).