2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C45H41BrF6N6O5 — CID 165103664

IUPAC2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.O=C(Cc1cc(C2=CCOCC2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H24F3N3O3.C20H17BrF3N3O2/c26-25(27,28)23-3-1-2-20(29-23)22(32)13-16-12-19(17-4-8-33-9-5-17)24-30-21(15-31(24)14-16)18-6-10-34-11-7-18;21-14-8-12(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/h1-4,12,14-15,18H,5-11,13H2;1-3,8,10-11,13H,4-7,9H2
InChIKeyYTQLGNGWNABWSU-UHFFFAOYSA-N
MW939.75 g/mol
LogP9.70
Rot. Bonds9

About 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165103664) has the molecular formula C45H41BrF6N6O5 and a molecular weight of 939.75 g/mol. Its IUPAC name is 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165103664
Molecular FormulaC45H41BrF6N6O5
Molecular Weight939.75 g/mol
Exact Mass938.22
IUPAC Name2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.O=C(Cc1cc(C2=CCOCC2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H24F3N3O3.C20H17BrF3N3O2/c26-25(27,28)23-3-1-2-20(29-23)22(32)13-16-12-19(17-4-8-33-9-5-17)24-30-21(15-31(24)14-16)18-6-10-34-11-7-18;21-14-8-12(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/h1-4,12,14-15,18H,5-11,13H2;1-3,8,10-11,13H,4-7,9H2
InChIKeyYTQLGNGWNABWSU-UHFFFAOYSA-N
XLogP9.70
TPSA122.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500939.75
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165103664) is 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.O=C(Cc1cc(C2=CCOCC2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is YTQLGNGWNABWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3.C20H17BrF3N3O2/c26-25(27,28)23-3-1-2-20(29-23)22(32)13-16-12-19(17-4-8-33-9-5-17)24-30-21(15-31(24)14-16)18-6-10-34-11-7-18;21-14-8-12(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/h1-4,12,14-15,18H,5-11,13H2;1-3,8,10-11,13H,4-7,9H2.
What are the key properties of 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 939.75 g/mol, XLogP of 9.70, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165103664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).