2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid

C16H14F2N4O4 — CID 67622441

IUPAC2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESCC1C(F)=CC(F)=CC1c1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12
InChIInChI=1S/C16H14F2N4O4/c1-7-9(2-8(17)3-10(7)18)11-4-12(23)14(15-20-6-21-22(11)15)16(26)19-5-13(24)25/h2-4,6-7,9H,5H2,1H3,(H,19,26)(H,20,21)(H,24,25)
InChIKeyYWBAXXSMRXARSI-UHFFFAOYSA-N
MW364.31 g/mol
LogP1.28
Rot. Bonds4

About 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid

2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (PubChem CID 67622441) has the molecular formula C16H14F2N4O4 and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
PubChem CID67622441
Molecular FormulaC16H14F2N4O4
Molecular Weight364.31 g/mol
Exact Mass364.10
IUPAC Name2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESCC1C(F)=CC(F)=CC1c1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12
InChIInChI=1S/C16H14F2N4O4/c1-7-9(2-8(17)3-10(7)18)11-4-12(23)14(15-20-6-21-22(11)15)16(26)19-5-13(24)25/h2-4,6-7,9H,5H2,1H3,(H,19,26)(H,20,21)(H,24,25)
InChIKeyYWBAXXSMRXARSI-UHFFFAOYSA-N
XLogP1.28
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
CID 67049671
2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
CID 67050359
2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
CID 67050367
2-[(7-oxo-5-pentyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
CID 50899218
2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
CID 58209014
2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
CID 67049809
2-[(7-oxo-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
CID 67050360
2-[[5-[4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 67621664
2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 50899216
2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
CID 50899217
2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 67049398
2-[[5-(cyclobutylmethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 67049535

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (CID 67622441) is 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is CC1C(F)=CC(F)=CC1c1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.
What is the InChIKey of 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The InChIKey is YWBAXXSMRXARSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O4/c1-7-9(2-8(17)3-10(7)18)11-4-12(23)14(15-20-6-21-22(11)15)16(26)19-5-13(24)25/h2-4,6-7,9H,5H2,1H3,(H,19,26)(H,20,21)(H,24,25).
What are the key properties of 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid has a molecular weight of 364.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is sourced from PubChem (CID 67622441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).