1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone

C18H16BrFN2O — CID 170017766

IUPAC1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCCc1cc(C(C)=O)c(C)c2cc(-c3ccc(Br)cc3F)nn12
InChIInChI=1S/C18H16BrFN2O/c1-4-13-8-15(11(3)23)10(2)18-9-17(21-22(13)18)14-6-5-12(19)7-16(14)20/h5-9H,4H2,1-3H3
InChIKeyQWHGSJUSQAXXRQ-UHFFFAOYSA-N
MW375.24 g/mol
LogP4.98
Rot. Bonds3

About 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone

1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone (PubChem CID 170017766) has the molecular formula C18H16BrFN2O and a molecular weight of 375.24 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone
PubChem CID170017766
Molecular FormulaC18H16BrFN2O
Molecular Weight375.24 g/mol
Exact Mass374.04
IUPAC Name1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCCc1cc(C(C)=O)c(C)c2cc(-c3ccc(Br)cc3F)nn12
InChIInChI=1S/C18H16BrFN2O/c1-4-13-8-15(11(3)23)10(2)18-9-17(21-22(13)18)14-6-5-12(19)7-16(14)20/h5-9H,4H2,1-3H3
InChIKeyQWHGSJUSQAXXRQ-UHFFFAOYSA-N
XLogP4.98
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone with MolForge

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Related Compounds

methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate
CID 148699234
potassium;[2-(4-bromo-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyridin-5-yl]methanone;hydroxide
CID 156666101
ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 134430692
[4-[7-ethyl-4-methyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl] pyrrolidine-3-carboxylate
CID 175112963
ethyl 2-[4-(4-bromo-2-fluorophenyl)triazol-1-yl]acetate
CID 69294253
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 114905757
2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylic acid
CID 147750888
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 174053381
5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621696
1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone?
The IUPAC name of 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone (CID 170017766) is 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone is CCc1cc(C(C)=O)c(C)c2cc(-c3ccc(Br)cc3F)nn12.
What is the InChIKey of 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone?
The InChIKey is QWHGSJUSQAXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O/c1-4-13-8-15(11(3)23)10(2)18-9-17(21-22(13)18)14-6-5-12(19)7-16(14)20/h5-9H,4H2,1-3H3.
What are the key properties of 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone?
1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone has a molecular weight of 375.24 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone is sourced from PubChem (CID 170017766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).