2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid

C18H16FN3O3 — CID 166369102

IUPAC2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid
SMILESCc1cc(C(NC(=O)c2nc(C)n3ccccc23)C(=O)O)ccc1F
InChIInChI=1S/C18H16FN3O3/c1-10-9-12(6-7-13(10)19)15(18(24)25)21-17(23)16-14-5-3-4-8-22(14)11(2)20-16/h3-9,15H,1-2H3,(H,21,23)(H,24,25)
InChIKeyCFWRCRBJWLIJKA-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.65
Rot. Bonds4

About 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid

2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid (PubChem CID 166369102) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid
PubChem CID166369102
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid
SMILESCc1cc(C(NC(=O)c2nc(C)n3ccccc23)C(=O)O)ccc1F
InChIInChI=1S/C18H16FN3O3/c1-10-9-12(6-7-13(10)19)15(18(24)25)21-17(23)16-14-5-3-4-8-22(14)11(2)20-16/h3-9,15H,1-2H3,(H,21,23)(H,24,25)
InChIKeyCFWRCRBJWLIJKA-UHFFFAOYSA-N
XLogP2.65
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-tert-butyl-1,2,4-triazole-3-carbonyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 136549526
3-methyl-N-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110649549
N-(2-methoxyethyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647551
N-[(4-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648131
2-(3-methylimidazo[1,5-a]pyridin-1-yl)-2-oxoacetic acid
CID 82282708
2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid
CID 166376773
N-[(2-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648110
2-[(4-fluoro-3-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288039
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
2-(3,4-dihydro-1H-isochromene-6-carbonylamino)-2-(4-fluoro-3-methylphenyl)acetic acid
CID 136552048
methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate
CID 110650614
1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071095

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid (CID 166369102) is 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid is Cc1cc(C(NC(=O)c2nc(C)n3ccccc23)C(=O)O)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid?
The InChIKey is CFWRCRBJWLIJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-10-9-12(6-7-13(10)19)15(18(24)25)21-17(23)16-14-5-3-4-8-22(14)11(2)20-16/h3-9,15H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid?
2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid has a molecular weight of 341.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 166369102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).