5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine

C16H13BrF2N2O — CID 91809242

IUPAC5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine
SMILESCc1nn2ccc(Br)cc2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C16H13BrF2N2O/c1-10-13(14-9-12(17)6-7-21(14)20-10)8-11-4-2-3-5-15(11)22-16(18)19/h2-7,9,16H,8H2,1H3
InChIKeyRXZBXZWKZLFWEY-UHFFFAOYSA-N
MW367.19 g/mol
LogP4.60
Rot. Bonds4

About 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine

5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine (PubChem CID 91809242) has the molecular formula C16H13BrF2N2O and a molecular weight of 367.19 g/mol. Its IUPAC name is 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine
PubChem CID91809242
Molecular FormulaC16H13BrF2N2O
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC Name5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine
SMILESCc1nn2ccc(Br)cc2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C16H13BrF2N2O/c1-10-13(14-9-12(17)6-7-21(14)20-10)8-11-4-2-3-5-15(11)22-16(18)19/h2-7,9,16H,8H2,1H3
InChIKeyRXZBXZWKZLFWEY-UHFFFAOYSA-N
XLogP4.60
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
2-(4-Fluorophenyl)-7-methoxy-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 9923028
7-Methoxy-4-[(2-pyridin-4-yl)ethyl]-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 24752867
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-pyrazolo[1,5-a]pyridin-2-ylmethylpentan-2-ol
CID 46938915
3-Bromo-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methoxypyridine
CID 53465402
5-Bromo-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466524
1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanol
CID 58014021
5-[4-(Trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 127044563
5-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 127044564
4-(3-Bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 1214672
7-Methoxy-4-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 72193179

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine?
The IUPAC name of 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine (CID 91809242) is 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine is Cc1nn2ccc(Br)cc2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine?
The InChIKey is RXZBXZWKZLFWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O/c1-10-13(14-9-12(17)6-7-21(14)20-10)8-11-4-2-3-5-15(11)22-16(18)19/h2-7,9,16H,8H2,1H3.
What are the key properties of 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine?
5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine has a molecular weight of 367.19 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 91809242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).