methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate

C17H17BrFN3O4 — CID 146270188

IUPACmethyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate
SMILESCOC[C@H]1Cn2cc(Br)nc2C(=O)N1Cc1cc(F)ccc1C(=O)OC
InChIInChI=1S/C17H17BrFN3O4/c1-25-9-12-7-21-8-14(18)20-15(21)16(23)22(12)6-10-5-11(19)3-4-13(10)17(24)26-2/h3-5,8,12H,6-7,9H2,1-2H3/t12-/m1/s1
InChIKeyVNLUAYRTIHSMDR-GFCCVEGCSA-N
MW426.24 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate

methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate (PubChem CID 146270188) has the molecular formula C17H17BrFN3O4 and a molecular weight of 426.24 g/mol. Its IUPAC name is methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate
PubChem CID146270188
Molecular FormulaC17H17BrFN3O4
Molecular Weight426.24 g/mol
Exact Mass425.04
IUPAC Namemethyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate
SMILESCOC[C@H]1Cn2cc(Br)nc2C(=O)N1Cc1cc(F)ccc1C(=O)OC
InChIInChI=1S/C17H17BrFN3O4/c1-25-9-12-7-21-8-14(18)20-15(21)16(23)22(12)6-10-5-11(19)3-4-13(10)17(24)26-2/h3-5,8,12H,6-7,9H2,1-2H3/t12-/m1/s1
InChIKeyVNLUAYRTIHSMDR-GFCCVEGCSA-N
XLogP2.24
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate?
The IUPAC name of methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate (CID 146270188) is methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate.
What is the SMILES notation for methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate?
The canonical SMILES for methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate is COC[C@H]1Cn2cc(Br)nc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.
What is the InChIKey of methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate?
The InChIKey is VNLUAYRTIHSMDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17BrFN3O4/c1-25-9-12-7-21-8-14(18)20-15(21)16(23)22(12)6-10-5-11(19)3-4-13(10)17(24)26-2/h3-5,8,12H,6-7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate?
methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate has a molecular weight of 426.24 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(6R)-2-bromo-6-(methoxymethyl)-8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]methyl]-4-fluorobenzoate is sourced from PubChem (CID 146270188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).