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

C17H15N7O2 — CID 139488156

IUPAC1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cccn4)c3n2)nn1
InChIInChI=1S/C17H15N7O2/c25-17(26)14-10-23(21-20-14)9-13-8-22-7-12(11-2-3-11)6-15(16(22)19-13)24-5-1-4-18-24/h1,4-8,10-11H,2-3,9H2,(H,25,26)
InChIKeyQFVWBDSHGJZFCT-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.74
Rot. Bonds5

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

1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 139488156) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID139488156
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cccn4)c3n2)nn1
InChIInChI=1S/C17H15N7O2/c25-17(26)14-10-23(21-20-14)9-13-8-22-7-12(11-2-3-11)6-15(16(22)19-13)24-5-1-4-18-24/h1,4-8,10-11H,2-3,9H2,(H,25,26)
InChIKeyQFVWBDSHGJZFCT-UHFFFAOYSA-N
XLogP1.74
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.74
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-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid (CID 139488156) is 1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cccn4)c3n2)nn1.
What is the InChIKey of 1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is QFVWBDSHGJZFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c25-17(26)14-10-23(21-20-14)9-13-8-22-7-12(11-2-3-11)6-15(16(22)19-13)24-5-1-4-18-24/h1,4-8,10-11H,2-3,9H2,(H,25,26).
What are the key properties of 1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 349.35 g/mol, XLogP of 1.74, 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-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139488156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).