1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

C17H16N6O4 — CID 139487567

IUPAC1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOC4=O)c3n2)nn1
InChIInChI=1S/C17H16N6O4/c24-16(25)13-9-22(20-19-13)8-12-7-21-6-11(10-1-2-10)5-14(15(21)18-12)23-3-4-27-17(23)26/h5-7,9-10H,1-4,8H2,(H,24,25)
InChIKeyKRCPCCFJRLIEGW-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.51
Rot. Bonds5

About 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139487567) has the molecular formula C17H16N6O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139487567
Molecular FormulaC17H16N6O4
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOC4=O)c3n2)nn1
InChIInChI=1S/C17H16N6O4/c24-16(25)13-9-22(20-19-13)8-12-7-21-6-11(10-1-2-10)5-14(15(21)18-12)23-3-4-27-17(23)26/h5-7,9-10H,1-4,8H2,(H,24,25)
InChIKeyKRCPCCFJRLIEGW-UHFFFAOYSA-N
XLogP1.51
TPSA114.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139487567) is 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOC4=O)c3n2)nn1.
What is the InChIKey of 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is KRCPCCFJRLIEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O4/c24-16(25)13-9-22(20-19-13)8-12-7-21-6-11(10-1-2-10)5-14(15(21)18-12)23-3-4-27-17(23)26/h5-7,9-10H,1-4,8H2,(H,24,25).
What are the key properties of 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 368.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).