[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone

C16H9BrClF3N4OS — CID 59443861

IUPAC[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C16H9BrClF3N4OS/c17-9-5-10(16(19,20)21)13-23-11(12(18)25(13)7-9)15(26)24-3-1-8(6-24)14-22-2-4-27-14/h1-2,4-5,7H,3,6H2
InChIKeyMIAXBBHRGXSQDL-UHFFFAOYSA-N
MW477.69 g/mol
LogP4.76
Rot. Bonds2

About [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone

[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 59443861) has the molecular formula C16H9BrClF3N4OS and a molecular weight of 477.69 g/mol. Its IUPAC name is [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID59443861
Molecular FormulaC16H9BrClF3N4OS
Molecular Weight477.69 g/mol
Exact Mass475.93
IUPAC Name[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C16H9BrClF3N4OS/c17-9-5-10(16(19,20)21)13-23-11(12(18)25(13)7-9)15(26)24-3-1-8(6-24)14-22-2-4-27-14/h1-2,4-5,7H,3,6H2
InChIKeyMIAXBBHRGXSQDL-UHFFFAOYSA-N
XLogP4.76
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.69
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 59443861) is [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CC=C(c2nccs2)C1.
What is the InChIKey of [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is MIAXBBHRGXSQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClF3N4OS/c17-9-5-10(16(19,20)21)13-23-11(12(18)25(13)7-9)15(26)24-3-1-8(6-24)14-22-2-4-27-14/h1-2,4-5,7H,3,6H2.
What are the key properties of [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 477.69 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 59443861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).