6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

C32H34BrF2N7O5 — CID 164984762

IUPAC6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESCOc1nc(Br)cn2cc(C3CCCOC3)nc12.COc1nc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCCOC3)nc12
InChIInChI=1S/C20H20F2N4O3.C12H14BrN3O2/c1-28-20-19-25-16(12-4-3-7-29-11-12)10-26(19)9-13(23-20)8-17(27)14-5-2-6-15(24-14)18(21)22;1-17-12-11-14-9(8-3-2-4-18-7-8)5-16(11)6-10(13)15-12/h2,5-6,9-10,12,18H,3-4,7-8,11H2,1H3;5-6,8H,2-4,7H2,1H3
InChIKeyFZPWMBSLBGXRGC-UHFFFAOYSA-N
MW714.57 g/mol
LogP5.78
Rot. Bonds8

About 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (PubChem CID 164984762) has the molecular formula C32H34BrF2N7O5 and a molecular weight of 714.57 g/mol. Its IUPAC name is 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.

Molecular Properties

Compound Name6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
PubChem CID164984762
Molecular FormulaC32H34BrF2N7O5
Molecular Weight714.57 g/mol
Exact Mass713.18
IUPAC Name6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESCOc1nc(Br)cn2cc(C3CCCOC3)nc12.COc1nc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCCOC3)nc12
InChIInChI=1S/C20H20F2N4O3.C12H14BrN3O2/c1-28-20-19-25-16(12-4-3-7-29-11-12)10-26(19)9-13(23-20)8-17(27)14-5-2-6-15(24-14)18(21)22;1-17-12-11-14-9(8-3-2-4-18-7-8)5-16(11)6-10(13)15-12/h2,5-6,9-10,12,18H,3-4,7-8,11H2,1H3;5-6,8H,2-4,7H2,1H3
InChIKeyFZPWMBSLBGXRGC-UHFFFAOYSA-N
XLogP5.78
TPSA127.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500714.57
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(6-propan-2-yl-2-pyridinyl)ethanone
CID 165031668
2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone
CID 165048614
N-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyrazin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide
CID 154655470
6-bromo-8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine
CID 155437441
2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone
CID 165050739
6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998256
N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide
CID 154655177
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165046881
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164961282
2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
CID 165094478
2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
CID 164979534
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165007665

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The IUPAC name of 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (CID 164984762) is 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.
What is the SMILES notation for 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The canonical SMILES for 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is COc1nc(Br)cn2cc(C3CCCOC3)nc12.COc1nc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCCOC3)nc12.
What is the InChIKey of 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The InChIKey is FZPWMBSLBGXRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3.C12H14BrN3O2/c1-28-20-19-25-16(12-4-3-7-29-11-12)10-26(19)9-13(23-20)8-17(27)14-5-2-6-15(24-14)18(21)22;1-17-12-11-14-9(8-3-2-4-18-7-8)5-16(11)6-10(13)15-12/h2,5-6,9-10,12,18H,3-4,7-8,11H2,1H3;5-6,8H,2-4,7H2,1H3.
What are the key properties of 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone has a molecular weight of 714.57 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is sourced from PubChem (CID 164984762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).