1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one

C19H17BrClFN2O — CID 159477178

IUPAC1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)Cc1c(-c2ccc(F)c(Cl)c2)nc2cc(Br)ccn12
InChIInChI=1S/C19H17BrClFN2O/c1-11(2)7-14(25)10-17-19(12-3-4-16(22)15(21)8-12)23-18-9-13(20)5-6-24(17)18/h3-6,8-9,11H,7,10H2,1-2H3
InChIKeyLWNJMWZMIPPICQ-UHFFFAOYSA-N
MW423.71 g/mol
LogP5.71
Rot. Bonds5

About 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one

1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one (PubChem CID 159477178) has the molecular formula C19H17BrClFN2O and a molecular weight of 423.71 g/mol. Its IUPAC name is 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one
PubChem CID159477178
Molecular FormulaC19H17BrClFN2O
Molecular Weight423.71 g/mol
Exact Mass422.02
IUPAC Name1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)Cc1c(-c2ccc(F)c(Cl)c2)nc2cc(Br)ccn12
InChIInChI=1S/C19H17BrClFN2O/c1-11(2)7-14(25)10-17-19(12-3-4-16(22)15(21)8-12)23-18-9-13(20)5-6-24(17)18/h3-6,8-9,11H,7,10H2,1-2H3
InChIKeyLWNJMWZMIPPICQ-UHFFFAOYSA-N
XLogP5.71
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.71
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one?
The IUPAC name of 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one (CID 159477178) is 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one.
What is the SMILES notation for 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one?
The canonical SMILES for 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one is CC(C)CC(=O)Cc1c(-c2ccc(F)c(Cl)c2)nc2cc(Br)ccn12.
What is the InChIKey of 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one?
The InChIKey is LWNJMWZMIPPICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClFN2O/c1-11(2)7-14(25)10-17-19(12-3-4-16(22)15(21)8-12)23-18-9-13(20)5-6-24(17)18/h3-6,8-9,11H,7,10H2,1-2H3.
What are the key properties of 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one?
1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one has a molecular weight of 423.71 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylpentan-2-one is sourced from PubChem (CID 159477178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).