8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C32H31Br2F3N6O3 — CID 165071059

IUPAC8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESNc1cc(Br)c2nc(C3CCOCC3)cn2c1.O=C(Cc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17BrF3N3O2.C12H14BrN3O/c21-14-8-12(9-17(28)15-2-1-3-18(25-15)20(22,23)24)10-27-11-16(26-19(14)27)13-4-6-29-7-5-13;13-10-5-9(14)6-16-7-11(15-12(10)16)8-1-3-17-4-2-8/h1-3,8,10-11,13H,4-7,9H2;5-8H,1-4,14H2
InChIKeySTNNUBXIDMTAFE-UHFFFAOYSA-N
MW764.44 g/mol
LogP7.40
Rot. Bonds5

About 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165071059) has the molecular formula C32H31Br2F3N6O3 and a molecular weight of 764.44 g/mol. Its IUPAC name is 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165071059
Molecular FormulaC32H31Br2F3N6O3
Molecular Weight764.44 g/mol
Exact Mass762.08
IUPAC Name8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESNc1cc(Br)c2nc(C3CCOCC3)cn2c1.O=C(Cc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17BrF3N3O2.C12H14BrN3O/c21-14-8-12(9-17(28)15-2-1-3-18(25-15)20(22,23)24)10-27-11-16(26-19(14)27)13-4-6-29-7-5-13;13-10-5-9(14)6-16-7-11(15-12(10)16)8-1-3-17-4-2-8/h1-3,8,10-11,13H,4-7,9H2;5-8H,1-4,14H2
InChIKeySTNNUBXIDMTAFE-UHFFFAOYSA-N
XLogP7.40
TPSA109.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.44
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(difluoromethyl)-N-[7-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655717
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655885
6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655174
N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655525
6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655582
6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
CID 154655624
6-(difluoromethyl)-N-[7-(2-methylpropyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655792
6-(difluoromethyl)-N-[2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655882
N-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 154655916
4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 158708127
1-[6-(Difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164958680
1-[6-(Difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
CID 164970467

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165071059) is 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is Nc1cc(Br)c2nc(C3CCOCC3)cn2c1.O=C(Cc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is STNNUBXIDMTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF3N3O2.C12H14BrN3O/c21-14-8-12(9-17(28)15-2-1-3-18(25-15)20(22,23)24)10-27-11-16(26-19(14)27)13-4-6-29-7-5-13;13-10-5-9(14)6-16-7-11(15-12(10)16)8-1-3-17-4-2-8/h1-3,8,10-11,13H,4-7,9H2;5-8H,1-4,14H2.
What are the key properties of 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 764.44 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-amine;2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165071059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).