2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C15H17N5O3 — CID 167833544

IUPAC2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(C)(O)Cc1cn(Cc2cn3c(C(=O)O)cccc3n2)nn1
InChIInChI=1S/C15H17N5O3/c1-15(2,23)6-10-7-19(18-17-10)8-11-9-20-12(14(21)22)4-3-5-13(20)16-11/h3-5,7,9,23H,6,8H2,1-2H3,(H,21,22)
InChIKeyKOBQWXPNQNIYFO-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.99
Rot. Bonds5

About 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 167833544) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID167833544
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(C)(O)Cc1cn(Cc2cn3c(C(=O)O)cccc3n2)nn1
InChIInChI=1S/C15H17N5O3/c1-15(2,23)6-10-7-19(18-17-10)8-11-9-20-12(14(21)22)4-3-5-13(20)16-11/h3-5,7,9,23H,6,8H2,1-2H3,(H,21,22)
InChIKeyKOBQWXPNQNIYFO-UHFFFAOYSA-N
XLogP0.99
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

2-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255796
methyl 2-[[4-(1,2-oxazol-3-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 167934302
methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 167913159
1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol
CID 136569277
1-[(5-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 139487369
2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255832
2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131577
2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255785
2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132642
2-propan-2-ylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 80503767
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132108
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate
CID 113231454

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 167833544) is 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is CC(C)(O)Cc1cn(Cc2cn3c(C(=O)O)cccc3n2)nn1.
What is the InChIKey of 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is KOBQWXPNQNIYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-15(2,23)6-10-7-19(18-17-10)8-11-9-20-12(14(21)22)4-3-5-13(20)16-11/h3-5,7,9,23H,6,8H2,1-2H3,(H,21,22).
What are the key properties of 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 167833544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).