tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate

C18H20FN5O2 — CID 139487771

IUPACtert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)c(F)cc3n2)nn1
InChIInChI=1S/C18H20FN5O2/c1-18(2,3)26-17(25)15-10-24(22-21-15)8-12-7-23-9-13(11-4-5-11)14(19)6-16(23)20-12/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyYFWSCIGPJPXMND-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.95
Rot. Bonds4

About tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate

tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate (PubChem CID 139487771) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
PubChem CID139487771
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Nametert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)c(F)cc3n2)nn1
InChIInChI=1S/C18H20FN5O2/c1-18(2,3)26-17(25)15-10-24(22-21-15)8-12-7-23-9-13(11-4-5-11)14(19)6-16(23)20-12/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyYFWSCIGPJPXMND-UHFFFAOYSA-N
XLogP2.95
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 139487365
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139488013
tert-butyl 1-[[6-cyclopropyl-8-(1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
CID 139487797
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate
CID 113231454
tert-butyl 1-[[6-chloro-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
CID 139488404
2-(azidomethyl)-6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridine
CID 139488323
2-(azidomethyl)-6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridine;5-bromo-4-fluoropyridin-2-amine;tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;2-(chloromethyl)-6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridine;cyclopropylboronic acid;1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;5-cyclopropyl-4-fluoropyridin-2-amine;1,3-dichloropropan-2-one
CID 160510147
benzyl 1-[[6-cyclopropyl-8-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
CID 139487679
1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one
CID 160893149
tert-butyl 5-bromo-4-cyclopropylpyridine-2-carboxylate
CID 167486042
N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 139488070
1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
CID 139487588

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
The IUPAC name of tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate (CID 139487771) is tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate.
What is the SMILES notation for tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
The canonical SMILES for tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate is CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)c(F)cc3n2)nn1.
What is the InChIKey of tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
The InChIKey is YFWSCIGPJPXMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-18(2,3)26-17(25)15-10-24(22-21-15)8-12-7-23-9-13(11-4-5-11)14(19)6-16(23)20-12/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate has a molecular weight of 357.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 139487771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).