3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid

C22H17N3O4 — CID 67216234

IUPAC3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESCOc1cc(C(=O)c2nc(-c3cccc(C(=O)O)c3)c3ccccn23)ccc1N
InChIInChI=1S/C22H17N3O4/c1-29-18-12-14(8-9-16(18)23)20(26)21-24-19(17-7-2-3-10-25(17)21)13-5-4-6-15(11-13)22(27)28/h2-12H,23H2,1H3,(H,27,28)
InChIKeyCDUOFKSDSNNUJN-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.52
Rot. Bonds5

About 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid

3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid (PubChem CID 67216234) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
PubChem CID67216234
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESCOc1cc(C(=O)c2nc(-c3cccc(C(=O)O)c3)c3ccccn23)ccc1N
InChIInChI=1S/C22H17N3O4/c1-29-18-12-14(8-9-16(18)23)20(26)21-24-19(17-7-2-3-10-25(17)21)13-5-4-6-15(11-13)22(27)28/h2-12H,23H2,1H3,(H,27,28)
InChIKeyCDUOFKSDSNNUJN-UHFFFAOYSA-N
XLogP3.52
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The IUPAC name of 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid (CID 67216234) is 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid.
What is the SMILES notation for 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The canonical SMILES for 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid is COc1cc(C(=O)c2nc(-c3cccc(C(=O)O)c3)c3ccccn23)ccc1N.
What is the InChIKey of 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The InChIKey is CDUOFKSDSNNUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-29-18-12-14(8-9-16(18)23)20(26)21-24-19(17-7-2-3-10-25(17)21)13-5-4-6-15(11-13)22(27)28/h2-12H,23H2,1H3,(H,27,28).
What are the key properties of 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid has a molecular weight of 387.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid is sourced from PubChem (CID 67216234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).