4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid

C21H11Cl2FN2O3 — CID 121472971

IUPAC4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)n3ccccc23)cc1
InChIInChI=1S/C21H11Cl2FN2O3/c22-13-8-9-14(24)17(23)16(13)19(27)20-25-18(15-3-1-2-10-26(15)20)11-4-6-12(7-5-11)21(28)29/h1-10H,(H,28,29)
InChIKeyGPPUUYJHJPZBGE-UHFFFAOYSA-N
MW429.23 g/mol
LogP5.38
Rot. Bonds4

About 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid

4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid (PubChem CID 121472971) has the molecular formula C21H11Cl2FN2O3 and a molecular weight of 429.23 g/mol. Its IUPAC name is 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
PubChem CID121472971
Molecular FormulaC21H11Cl2FN2O3
Molecular Weight429.23 g/mol
Exact Mass428.01
IUPAC Name4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)n3ccccc23)cc1
InChIInChI=1S/C21H11Cl2FN2O3/c22-13-8-9-14(24)17(23)16(13)19(27)20-25-18(15-3-1-2-10-26(15)20)11-4-6-12(7-5-11)21(28)29/h1-10H,(H,28,29)
InChIKeyGPPUUYJHJPZBGE-UHFFFAOYSA-N
XLogP5.38
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.23
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-chloro-6-(cyanomethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 122529825
(4-methylphenyl)-(1-phenylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207391
[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 134795474
4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide
CID 121472927
4-[3-(2-chloro-6-fluorobenzoyl)indolizin-1-yl]benzoic acid
CID 121472932
methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
CID 163207395
1-(4-chlorophenyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 134790691
4-[3-(2,6-dichloro-3-fluorobenzoyl)-2-fluoroindolizin-1-yl]-2-ethylbenzoic acid
CID 155182718
1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid
CID 171922177
4-[3-(2,6-dichlorobenzoyl)-8-fluoroindolizin-1-yl]benzoic acid
CID 121472876
1-(4-chlorophenyl)-3-(2-fluorophenyl)imidazo[1,5-a]pyridine
CID 132581655
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The IUPAC name of 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid (CID 121472971) is 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The canonical SMILES for 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid is O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)n3ccccc23)cc1.
What is the InChIKey of 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The InChIKey is GPPUUYJHJPZBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2FN2O3/c22-13-8-9-14(24)17(23)16(13)19(27)20-25-18(15-3-1-2-10-26(15)20)11-4-6-12(7-5-11)21(28)29/h1-10H,(H,28,29).
What are the key properties of 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid has a molecular weight of 429.23 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid is sourced from PubChem (CID 121472971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).