3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine

C17H12BrFN4 — CID 23537677

IUPAC3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1cc2ncc(Br)n2cc1-c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H12BrFN4/c1-10-6-16-20-8-15(18)23(16)9-14(10)13-7-21-22-17(13)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,21,22)
InChIKeyJWZRAMDIFDUFDM-UHFFFAOYSA-N
MW371.21 g/mol
LogP4.60
Rot. Bonds2

About 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine

3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine (PubChem CID 23537677) has the molecular formula C17H12BrFN4 and a molecular weight of 371.21 g/mol. Its IUPAC name is 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine
PubChem CID23537677
Molecular FormulaC17H12BrFN4
Molecular Weight371.21 g/mol
Exact Mass370.02
IUPAC Name3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1cc2ncc(Br)n2cc1-c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H12BrFN4/c1-10-6-16-20-8-15(18)23(16)9-14(10)13-7-21-22-17(13)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,21,22)
InChIKeyJWZRAMDIFDUFDM-UHFFFAOYSA-N
XLogP4.60
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine (CID 23537677) is 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine is Cc1cc2ncc(Br)n2cc1-c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine?
The InChIKey is JWZRAMDIFDUFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4/c1-10-6-16-20-8-15(18)23(16)9-14(10)13-7-21-22-17(13)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,21,22).
What are the key properties of 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine?
3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine has a molecular weight of 371.21 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 23537677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).