tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate

C18H22BrN5O2 — CID 139499218

IUPACtert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=CN(Cc2cn3cc(C4CC4)cc(Br)c3n2)NN1
InChIInChI=1S/C18H22BrN5O2/c1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13/h6-8,10-11,21-22H,4-5,9H2,1-3H3
InChIKeyACZNLRZLOXETOI-UHFFFAOYSA-N
MW420.31 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate

tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate (PubChem CID 139499218) has the molecular formula C18H22BrN5O2 and a molecular weight of 420.31 g/mol. Its IUPAC name is tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
PubChem CID139499218
Molecular FormulaC18H22BrN5O2
Molecular Weight420.31 g/mol
Exact Mass419.10
IUPAC Nametert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=CN(Cc2cn3cc(C4CC4)cc(Br)c3n2)NN1
InChIInChI=1S/C18H22BrN5O2/c1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13/h6-8,10-11,21-22H,4-5,9H2,1-3H3
InChIKeyACZNLRZLOXETOI-UHFFFAOYSA-N
XLogP2.98
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate with MolForge

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Related Compounds

1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
CID 139487588
ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
CID 165132115
tert-butyl 1-[[6-cyclopropyl-8-(1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
CID 139487797
1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone
CID 165132661
tert-butyl 2-[6-cyclopropyl-2-[[4-[hydroxy(methoxy)methyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]acetate
CID 155180133
methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
CID 165131040
8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine
CID 165132150
(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate
CID 153344026
tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 165131145
1-(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 175623441
tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate
CID 165133411
ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 139487362

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate?
The IUPAC name of tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate (CID 139499218) is tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate.
What is the SMILES notation for tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate?
The canonical SMILES for tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate is CC(C)(C)OC(=O)C1=CN(Cc2cn3cc(C4CC4)cc(Br)c3n2)NN1.
What is the InChIKey of tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate?
The InChIKey is ACZNLRZLOXETOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5O2/c1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13/h6-8,10-11,21-22H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate?
tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate has a molecular weight of 420.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate is sourced from PubChem (CID 139499218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).