3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine

C19H24BrN5O2 — CID 145207170

IUPAC3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine
SMILESCOc1nc(C2=NC(C3CCC(c4nc[nH]c4C)CC3)CON2)ccc1Br
InChIInChI=1S/C19H24BrN5O2/c1-11-17(22-10-21-11)13-5-3-12(4-6-13)16-9-27-25-18(23-16)15-8-7-14(20)19(24-15)26-2/h7-8,10,12-13,16H,3-6,9H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyQFAMYNCAOKRSGK-UHFFFAOYSA-N
MW434.34 g/mol
LogP3.51
Rot. Bonds4

About 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine

3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine (PubChem CID 145207170) has the molecular formula C19H24BrN5O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine.

Molecular Properties

Compound Name3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine
PubChem CID145207170
Molecular FormulaC19H24BrN5O2
Molecular Weight434.34 g/mol
Exact Mass433.11
IUPAC Name3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine
SMILESCOc1nc(C2=NC(C3CCC(c4nc[nH]c4C)CC3)CON2)ccc1Br
InChIInChI=1S/C19H24BrN5O2/c1-11-17(22-10-21-11)13-5-3-12(4-6-13)16-9-27-25-18(23-16)15-8-7-14(20)19(24-15)26-2/h7-8,10,12-13,16H,3-6,9H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyQFAMYNCAOKRSGK-UHFFFAOYSA-N
XLogP3.51
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
The IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine (CID 145207170) is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine.
What is the SMILES notation for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
The canonical SMILES for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine is COc1nc(C2=NC(C3CCC(c4nc[nH]c4C)CC3)CON2)ccc1Br.
What is the InChIKey of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
The InChIKey is QFAMYNCAOKRSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O2/c1-11-17(22-10-21-11)13-5-3-12(4-6-13)16-9-27-25-18(23-16)15-8-7-14(20)19(24-15)26-2/h7-8,10,12-13,16H,3-6,9H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine has a molecular weight of 434.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(5-methyl-1H-imidazol-4-yl)cyclohexyl]-5,6-dihydro-2H-1,2,4-oxadiazine is sourced from PubChem (CID 145207170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).