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

C16H14N8O2 — CID 139487355

IUPAC1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)nn1
InChIInChI=1S/C16H14N8O2/c25-16(26)13-7-24(21-20-13)6-12-5-22-4-11(10-1-2-10)3-14(15(22)19-12)23-8-17-18-9-23/h3-5,7-10H,1-2,6H2,(H,25,26)
InChIKeyCURVNUAZDSHJGR-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.13
Rot. Bonds5

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

1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139487355) has the molecular formula C16H14N8O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139487355
Molecular FormulaC16H14N8O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)nn1
InChIInChI=1S/C16H14N8O2/c25-16(26)13-7-24(21-20-13)6-12-5-22-4-11(10-1-2-10)3-14(15(22)19-12)23-8-17-18-9-23/h3-5,7-10H,1-2,6H2,(H,25,26)
InChIKeyCURVNUAZDSHJGR-UHFFFAOYSA-N
XLogP1.13
TPSA116.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139487355) is 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)nn1.
What is the InChIKey of 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is CURVNUAZDSHJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O2/c25-16(26)13-7-24(21-20-13)6-12-5-22-4-11(10-1-2-10)3-14(15(22)19-12)23-8-17-18-9-23/h3-5,7-10H,1-2,6H2,(H,25,26).
What are the key properties of 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 350.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).