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

C16H16FN5O2 — CID 139488142

IUPAC1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCC(F)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)nn3)nc12
InChIInChI=1S/C16H16FN5O2/c1-9(17)13-4-11(10-2-3-10)5-21-6-12(18-15(13)21)7-22-8-14(16(23)24)19-20-22/h4-6,8-10H,2-3,7H2,1H3,(H,23,24)
InChIKeyCMNMJYPRPQPUTH-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.58
Rot. Bonds5

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

1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139488142) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139488142
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCC(F)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)nn3)nc12
InChIInChI=1S/C16H16FN5O2/c1-9(17)13-4-11(10-2-3-10)5-21-6-12(18-15(13)21)7-22-8-14(16(23)24)19-20-22/h4-6,8-10H,2-3,7H2,1H3,(H,23,24)
InChIKeyCMNMJYPRPQPUTH-UHFFFAOYSA-N
XLogP2.58
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139488142) is 1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is CC(F)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)nn3)nc12.
What is the InChIKey of 1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is CMNMJYPRPQPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-9(17)13-4-11(10-2-3-10)5-21-6-12(18-15(13)21)7-22-8-14(16(23)24)19-20-22/h4-6,8-10H,2-3,7H2,1H3,(H,23,24).
What are the key properties of 1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 329.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139488142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).