2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

C17H10BrFN4 — CID 174053381

IUPAC2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1cc(Br)ccc1-c1cc2nccc(-c3ccccn3)n2n1
InChIInChI=1S/C17H10BrFN4/c18-11-4-5-12(13(19)9-11)15-10-17-21-8-6-16(23(17)22-15)14-3-1-2-7-20-14/h1-10H
InChIKeyFQVVLJDVJPKTAS-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.36
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 174053381) has the molecular formula C17H10BrFN4 and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID174053381
Molecular FormulaC17H10BrFN4
Molecular Weight369.20 g/mol
Exact Mass368.01
IUPAC Name2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1cc(Br)ccc1-c1cc2nccc(-c3ccccn3)n2n1
InChIInChI=1S/C17H10BrFN4/c18-11-4-5-12(13(19)9-11)15-10-17-21-8-6-16(23(17)22-15)14-3-1-2-7-20-14/h1-10H
InChIKeyFQVVLJDVJPKTAS-UHFFFAOYSA-N
XLogP4.36
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine
CID 59706938
2-(2,4-difluorophenyl)pyridine;trichloroiridium
CID 174879451
3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde
CID 155809929
7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene
CID 174703064
5-bromo-2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine
CID 56598924
7-pyridin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491471
4-(2,4-difluorophenyl)-2-pyridin-2-ylpyridine
CID 102085632
trans-ethyl (1S,2S)-2-[3-fluoro-4-[5-[(1R)-4-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyclopropane-1-carboxylate
CID 170009048
1-[2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridin-5-yl]ethanone
CID 170017766
5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521302

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (CID 174053381) is 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is Fc1cc(Br)ccc1-c1cc2nccc(-c3ccccn3)n2n1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FQVVLJDVJPKTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN4/c18-11-4-5-12(13(19)9-11)15-10-17-21-8-6-16(23(17)22-15)14-3-1-2-7-20-14/h1-10H.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 369.20 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 174053381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).