2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid

C17H12F3N3O3 — CID 166310393

IUPAC2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(NC(C(=O)O)c1cccc(C(F)(F)F)c1)c1ncc2ccccn12
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)11-5-3-4-10(8-11)13(16(25)26)22-15(24)14-21-9-12-6-1-2-7-23(12)14/h1-9,13H,(H,22,24)(H,25,26)
InChIKeyVDTXFBXFRHMYNE-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.91
Rot. Bonds4

About 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid

2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 166310393) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID166310393
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(NC(C(=O)O)c1cccc(C(F)(F)F)c1)c1ncc2ccccn12
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)11-5-3-4-10(8-11)13(16(25)26)22-15(24)14-21-9-12-6-1-2-7-23(12)14/h1-9,13H,(H,22,24)(H,25,26)
InChIKeyVDTXFBXFRHMYNE-UHFFFAOYSA-N
XLogP2.91
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 24903486
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 22309176
2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 62541567
2-anilino-2-[3-(trifluoromethyl)phenyl]acetamide
CID 61005725
(2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 172569424
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4197390
2-(1H-benzimidazol-2-ylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 130366252
N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine
CID 10939264
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
methyl 2-[[3-(3-fluorophenyl)triazole-4-carbonyl]amino]-2-[3-(trifluoromethyl)phenyl]acetate
CID 154851641

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 166310393) is 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid is O=C(NC(C(=O)O)c1cccc(C(F)(F)F)c1)c1ncc2ccccn12.
What is the InChIKey of 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is VDTXFBXFRHMYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c18-17(19,20)11-5-3-4-10(8-11)13(16(25)26)22-15(24)14-21-9-12-6-1-2-7-23(12)14/h1-9,13H,(H,22,24)(H,25,26).
What are the key properties of 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 363.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 166310393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).