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

C15H13N9O2 — CID 139487913

IUPAC1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnn4)c3n2)nn1
InChIInChI=1S/C15H13N9O2/c25-15(26)12-7-23(20-18-12)6-11-5-22-4-10(9-1-2-9)3-13(14(22)17-11)24-8-16-19-21-24/h3-5,7-9H,1-2,6H2,(H,25,26)
InChIKeyNTWBZKKXEDDPDW-UHFFFAOYSA-N
MW351.33 g/mol
LogP0.53
Rot. Bonds5

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

1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139487913) has the molecular formula C15H13N9O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139487913
Molecular FormulaC15H13N9O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnn4)c3n2)nn1
InChIInChI=1S/C15H13N9O2/c25-15(26)12-7-23(20-18-12)6-11-5-22-4-10(9-1-2-9)3-13(14(22)17-11)24-8-16-19-21-24/h3-5,7-9H,1-2,6H2,(H,25,26)
InChIKeyNTWBZKKXEDDPDW-UHFFFAOYSA-N
XLogP0.53
TPSA128.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139487913) is 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnn4)c3n2)nn1.
What is the InChIKey of 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is NTWBZKKXEDDPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N9O2/c25-15(26)12-7-23(20-18-12)6-11-5-22-4-10(9-1-2-9)3-13(14(22)17-11)24-8-16-19-21-24/h3-5,7-9H,1-2,6H2,(H,25,26).
What are the key properties of 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 351.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).