methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C13H14BrF2N5O2 — CID 177042680

IUPACmethyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1c(N)c(Br)cn2nc(N3CCC(F)(F)CC3)nc12
InChIInChI=1S/C13H14BrF2N5O2/c1-23-11(22)8-9(17)7(14)6-21-10(8)18-12(19-21)20-4-2-13(15,16)3-5-20/h6H,2-5,17H2,1H3
InChIKeyMUWNYYHGRJPMJB-UHFFFAOYSA-N
MW390.19 g/mol
LogP2.10
Rot. Bonds2

About methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 177042680) has the molecular formula C13H14BrF2N5O2 and a molecular weight of 390.19 g/mol. Its IUPAC name is methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID177042680
Molecular FormulaC13H14BrF2N5O2
Molecular Weight390.19 g/mol
Exact Mass389.03
IUPAC Namemethyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1c(N)c(Br)cn2nc(N3CCC(F)(F)CC3)nc12
InChIInChI=1S/C13H14BrF2N5O2/c1-23-11(22)8-9(17)7(14)6-21-10(8)18-12(19-21)20-4-2-13(15,16)3-5-20/h6H,2-5,17H2,1H3
InChIKeyMUWNYYHGRJPMJB-UHFFFAOYSA-N
XLogP2.10
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate with MolForge

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Related Compounds

methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 171484582
methyl 5-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine-4-carboxylate
CID 175640260
methyl 6-bromo-5-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine-2-carboxylate
CID 178088282
methyl 4-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]benzoate
CID 178034947
dimethyl 5-(4,4-difluoropiperidin-1-yl)benzene-1,3-dicarboxylate
CID 57496007
methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
CID 169238594
methyl 2-(4,4-difluoroazepan-1-yl)-4,5-dimethylpyridine-3-carboxylate
CID 169124268
methyl 6-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylate
CID 172868881
7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 177042754
methyl 6-[1-[2-(6-azaspiro[2.5]octan-6-yl)-4-bromophenyl]triazol-4-yl]-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate
CID 170374365
methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82555209
methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 177042882

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 177042680) is methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1c(N)c(Br)cn2nc(N3CCC(F)(F)CC3)nc12.
What is the InChIKey of methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is MUWNYYHGRJPMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2N5O2/c1-23-11(22)8-9(17)7(14)6-21-10(8)18-12(19-21)20-4-2-13(15,16)3-5-20/h6H,2-5,17H2,1H3.
What are the key properties of methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 390.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-6-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 177042680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).