2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid

C16H11F3N4O3 — CID 44579731

IUPAC2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nccc2c1nc(C(F)(F)F)n2-c1ccccc1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)15-22-12-10(23(15)9-4-2-1-3-5-9)6-7-20-13(12)14(26)21-8-11(24)25/h1-7H,8H2,(H,21,26)(H,24,25)
InChIKeyFKBSPCDHVFBPBL-UHFFFAOYSA-N
MW364.28 g/mol
LogP2.25
Rot. Bonds4

About 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid

2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid (PubChem CID 44579731) has the molecular formula C16H11F3N4O3 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid
PubChem CID44579731
Molecular FormulaC16H11F3N4O3
Molecular Weight364.28 g/mol
Exact Mass364.08
IUPAC Name2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nccc2c1nc(C(F)(F)F)n2-c1ccccc1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)15-22-12-10(23(15)9-4-2-1-3-5-9)6-7-20-13(12)14(26)21-8-11(24)25/h1-7H,8H2,(H,21,26)(H,24,25)
InChIKeyFKBSPCDHVFBPBL-UHFFFAOYSA-N
XLogP2.25
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-3-morpholino-N-(2,2,2-trifluoro-1-(pyridin-2-yl)ethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 54581168
2-[1-(6-Aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 58119648
N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617700
N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617703
N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617760
N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide
CID 135584452
1-amino-N-(2,2-difluoroethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168269225
N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 17393643
2-(1,6-diphenyl-1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic acid
CID 25105471
2-(1-methyl-1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic acid
CID 44579681
2-(1-phenyl-1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic acid
CID 44579682
2-(1-benzyl-1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic acid
CID 44579683

Frequently Asked Questions

What is the IUPAC name of 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid (CID 44579731) is 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1nccc2c1nc(C(F)(F)F)n2-c1ccccc1.
What is the InChIKey of 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid?
The InChIKey is FKBSPCDHVFBPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3/c17-16(18,19)15-22-12-10(23(15)9-4-2-1-3-5-9)6-7-20-13(12)14(26)21-8-11(24)25/h1-7H,8H2,(H,21,26)(H,24,25).
What are the key properties of 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid?
2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid has a molecular weight of 364.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 44579731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).