2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid

C14H13N5O2 — CID 139487501

IUPAC2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C14H13N5O2/c20-14(21)12-5-15-19(17-12)8-11-7-18-6-10(9-1-2-9)3-4-13(18)16-11/h3-7,9H,1-2,8H2,(H,20,21)
InChIKeyQYOKTSRBDANIGY-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.55
Rot. Bonds4

About 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid

2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 139487501) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID139487501
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C14H13N5O2/c20-14(21)12-5-15-19(17-12)8-11-7-18-6-10(9-1-2-9)3-4-13(18)16-11/h3-7,9H,1-2,8H2,(H,20,21)
InChIKeyQYOKTSRBDANIGY-UHFFFAOYSA-N
XLogP1.55
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid (CID 139487501) is 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid is O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)n1.
What is the InChIKey of 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is QYOKTSRBDANIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-14(21)12-5-15-19(17-12)8-11-7-18-6-10(9-1-2-9)3-4-13(18)16-11/h3-7,9H,1-2,8H2,(H,20,21).
What are the key properties of 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).