4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one

C17H15BrClF3N4O2 — CID 51354205

IUPAC4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCN(C2CCC2)C(=O)C1
InChIInChI=1S/C17H15BrClF3N4O2/c18-9-6-11(17(20,21)22)15-23-13(14(19)26(15)7-9)16(28)24-4-5-25(12(27)8-24)10-2-1-3-10/h6-7,10H,1-5,8H2
InChIKeyIBTCFQKKDKYCEB-UHFFFAOYSA-N
MW479.68 g/mol
LogP3.61
Rot. Bonds2

About 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one

4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one (PubChem CID 51354205) has the molecular formula C17H15BrClF3N4O2 and a molecular weight of 479.68 g/mol. Its IUPAC name is 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
PubChem CID51354205
Molecular FormulaC17H15BrClF3N4O2
Molecular Weight479.68 g/mol
Exact Mass478.00
IUPAC Name4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCN(C2CCC2)C(=O)C1
InChIInChI=1S/C17H15BrClF3N4O2/c18-9-6-11(17(20,21)22)15-23-13(14(19)26(15)7-9)16(28)24-4-5-25(12(27)8-24)10-2-1-3-10/h6-7,10H,1-5,8H2
InChIKeyIBTCFQKKDKYCEB-UHFFFAOYSA-N
XLogP3.61
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.68
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one?
The IUPAC name of 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one (CID 51354205) is 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one.
What is the SMILES notation for 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one?
The canonical SMILES for 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCN(C2CCC2)C(=O)C1.
What is the InChIKey of 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one?
The InChIKey is IBTCFQKKDKYCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClF3N4O2/c18-9-6-11(17(20,21)22)15-23-13(14(19)26(15)7-9)16(28)24-4-5-25(12(27)8-24)10-2-1-3-10/h6-7,10H,1-5,8H2.
What are the key properties of 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one?
4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one has a molecular weight of 479.68 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one is sourced from PubChem (CID 51354205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).