3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine

C15H12BrF2N3O — CID 130437935

IUPAC3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine
SMILESCCOc1cc(F)c(Cn2nc(Br)c3ccncc32)c(F)c1
InChIInChI=1S/C15H12BrF2N3O/c1-2-22-9-5-12(17)11(13(18)6-9)8-21-14-7-19-4-3-10(14)15(16)20-21/h3-7H,2,8H2,1H3
InChIKeyCUGXWNAZAGGQSK-UHFFFAOYSA-N
MW368.18 g/mol
LogP3.92
Rot. Bonds4

About 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine

3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine (PubChem CID 130437935) has the molecular formula C15H12BrF2N3O and a molecular weight of 368.18 g/mol. Its IUPAC name is 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine
PubChem CID130437935
Molecular FormulaC15H12BrF2N3O
Molecular Weight368.18 g/mol
Exact Mass367.01
IUPAC Name3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine
SMILESCCOc1cc(F)c(Cn2nc(Br)c3ccncc32)c(F)c1
InChIInChI=1S/C15H12BrF2N3O/c1-2-22-9-5-12(17)11(13(18)6-9)8-21-14-7-19-4-3-10(14)15(16)20-21/h3-7H,2,8H2,1H3
InChIKeyCUGXWNAZAGGQSK-UHFFFAOYSA-N
XLogP3.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine (CID 130437935) is 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine is CCOc1cc(F)c(Cn2nc(Br)c3ccncc32)c(F)c1.
What is the InChIKey of 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine?
The InChIKey is CUGXWNAZAGGQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2N3O/c1-2-22-9-5-12(17)11(13(18)6-9)8-21-14-7-19-4-3-10(14)15(16)20-21/h3-7H,2,8H2,1H3.
What are the key properties of 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine?
3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine has a molecular weight of 368.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 130437935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).