fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate

C18H18FN5O5 — CID 153343667

IUPACfluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
SMILESCCOC(=O)COc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OF)nn3)nc12
InChIInChI=1S/C18H18FN5O5/c1-2-27-16(25)10-28-15-5-12(11-3-4-11)6-23-7-13(20-17(15)23)8-24-9-14(21-22-24)18(26)29-19/h5-7,9,11H,2-4,8,10H2,1H3
InChIKeyBVFIIXXOFSLSLF-UHFFFAOYSA-N
MW403.37 g/mol
LogP1.83
Rot. Bonds8

About fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate

fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate (PubChem CID 153343667) has the molecular formula C18H18FN5O5 and a molecular weight of 403.37 g/mol. Its IUPAC name is fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namefluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
PubChem CID153343667
Molecular FormulaC18H18FN5O5
Molecular Weight403.37 g/mol
Exact Mass403.13
IUPAC Namefluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
SMILESCCOC(=O)COc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OF)nn3)nc12
InChIInChI=1S/C18H18FN5O5/c1-2-27-16(25)10-28-15-5-12(11-3-4-11)6-23-7-13(20-17(15)23)8-24-9-14(21-22-24)18(26)29-19/h5-7,9,11H,2-4,8,10H2,1H3
InChIKeyBVFIIXXOFSLSLF-UHFFFAOYSA-N
XLogP1.83
TPSA109.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
The IUPAC name of fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate (CID 153343667) is fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate.
What is the SMILES notation for fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
The canonical SMILES for fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate is CCOC(=O)COc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OF)nn3)nc12.
What is the InChIKey of fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
The InChIKey is BVFIIXXOFSLSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O5/c1-2-27-16(25)10-28-15-5-12(11-3-4-11)6-23-7-13(20-17(15)23)8-24-9-14(21-22-24)18(26)29-19/h5-7,9,11H,2-4,8,10H2,1H3.
What are the key properties of fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate has a molecular weight of 403.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate is sourced from PubChem (CID 153343667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).