tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate

C23H23N3O5 — CID 71612117

IUPACtert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C23H23N3O5/c1-22(2,3)31-21(28)23(9-10-23)20-24-18-17(29-4)8-7-16(26(18)25-20)13-5-6-15-14(11-13)12-30-19(15)27/h5-8,11H,9-10,12H2,1-4H3
InChIKeyIQCDURIOODNZMM-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.45
Rot. Bonds4

About tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate

tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate (PubChem CID 71612117) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
PubChem CID71612117
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Nametert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C23H23N3O5/c1-22(2,3)31-21(28)23(9-10-23)20-24-18-17(29-4)8-7-16(26(18)25-20)13-5-6-15-14(11-13)12-30-19(15)27/h5-8,11H,9-10,12H2,1-4H3
InChIKeyIQCDURIOODNZMM-UHFFFAOYSA-N
XLogP3.45
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

cyclohexyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 162644677
[(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 162671119
[1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate
CID 58074604
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid
CID 118913996
(1-carbamoylcyclopropyl) 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 90795475
1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 70228749
[1-[8-methoxy-5-(1-oxo-2,3-dihydroinden-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propylcarbamate
CID 58074661
1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 58074668
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 70230839
1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide
CID 118928451
2-(hydroxymethyl)-4-[8-methoxy-2-[1-(2-methylpropylcarbamoyl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
CID 162672122
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 70231703

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate (CID 71612117) is tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate is COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC(C)(C)C)CC3)nc12.
What is the InChIKey of tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate?
The InChIKey is IQCDURIOODNZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-22(2,3)31-21(28)23(9-10-23)20-24-18-17(29-4)8-7-16(26(18)25-20)13-5-6-15-14(11-13)12-30-19(15)27/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate?
tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71612117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).