6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone

C47H47Br2F4N7O5 — CID 164981575

IUPAC6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2cn3cc(C4CCOCC4)nc3cc2C(F)F)n1.FC(F)c1cc2nc(C3CCOCC3)cn2cc1Br.O=Cc1cc2nc(C3CCOCC3)cn2cc1Br
InChIInChI=1S/C21H21F2N3O2.C13H13BrF2N2O.C13H13BrN2O2/c1-13-3-2-4-17(24-13)19(27)9-15-11-26-12-18(14-5-7-28-8-6-14)25-20(26)10-16(15)21(22)23;14-10-6-18-7-11(8-1-3-19-4-2-8)17-12(18)5-9(10)13(15)16;14-11-6-16-7-12(9-1-3-18-4-2-9)15-13(16)5-10(11)8-17/h2-4,10-12,14,21H,5-9H2,1H3;5-8,13H,1-4H2;5-9H,1-4H2
InChIKeyFOIPLBXTVWSGRG-UHFFFAOYSA-N
MW1025.74 g/mol
LogP11.03
Rot. Bonds9

About 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone

6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone (PubChem CID 164981575) has the molecular formula C47H47Br2F4N7O5 and a molecular weight of 1025.74 g/mol. Its IUPAC name is 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone
PubChem CID164981575
Molecular FormulaC47H47Br2F4N7O5
Molecular Weight1025.74 g/mol
Exact Mass1023.19
IUPAC Name6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2cn3cc(C4CCOCC4)nc3cc2C(F)F)n1.FC(F)c1cc2nc(C3CCOCC3)cn2cc1Br.O=Cc1cc2nc(C3CCOCC3)cn2cc1Br
InChIInChI=1S/C21H21F2N3O2.C13H13BrF2N2O.C13H13BrN2O2/c1-13-3-2-4-17(24-13)19(27)9-15-11-26-12-18(14-5-7-28-8-6-14)25-20(26)10-16(15)21(22)23;14-10-6-18-7-11(8-1-3-19-4-2-8)17-12(18)5-9(10)13(15)16;14-11-6-16-7-12(9-1-3-18-4-2-9)15-13(16)5-10(11)8-17/h2-4,10-12,14,21H,5-9H2,1H3;5-8,13H,1-4H2;5-9H,1-4H2
InChIKeyFOIPLBXTVWSGRG-UHFFFAOYSA-N
XLogP11.03
TPSA126.62 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001025.74
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone (CID 164981575) is 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone is Cc1cccc(C(=O)Cc2cn3cc(C4CCOCC4)nc3cc2C(F)F)n1.FC(F)c1cc2nc(C3CCOCC3)cn2cc1Br.O=Cc1cc2nc(C3CCOCC3)cn2cc1Br.
What is the InChIKey of 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is FOIPLBXTVWSGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2.C13H13BrF2N2O.C13H13BrN2O2/c1-13-3-2-4-17(24-13)19(27)9-15-11-26-12-18(14-5-7-28-8-6-14)25-20(26)10-16(15)21(22)23;14-10-6-18-7-11(8-1-3-19-4-2-8)17-12(18)5-9(10)13(15)16;14-11-6-16-7-12(9-1-3-18-4-2-9)15-13(16)5-10(11)8-17/h2-4,10-12,14,21H,5-9H2,1H3;5-8,13H,1-4H2;5-9H,1-4H2.
What are the key properties of 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone?
6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 1025.74 g/mol, XLogP of 11.03, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde;2-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 164981575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).