3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one

C19H19BrN6O3 — CID 158988876

IUPAC3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(Br)ncc2c(=O)[nH]1.Cc1cn2c(C3=CCOCC3)ncc2c(=O)[nH]1
InChIInChI=1S/C12H13N3O2.C7H6BrN3O/c1-8-7-15-10(12(16)14-8)6-13-11(15)9-2-4-17-5-3-9;1-4-3-11-5(6(12)10-4)2-9-7(11)8/h2,6-7H,3-5H2,1H3,(H,14,16);2-3H,1H3,(H,10,12)
InChIKeyJPXLHBWHVFLAFT-UHFFFAOYSA-N
MW459.30 g/mol
LogP2.23
Rot. Bonds1

About 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one

3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 158988876) has the molecular formula C19H19BrN6O3 and a molecular weight of 459.30 g/mol. Its IUPAC name is 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID158988876
Molecular FormulaC19H19BrN6O3
Molecular Weight459.30 g/mol
Exact Mass458.07
IUPAC Name3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(Br)ncc2c(=O)[nH]1.Cc1cn2c(C3=CCOCC3)ncc2c(=O)[nH]1
InChIInChI=1S/C12H13N3O2.C7H6BrN3O/c1-8-7-15-10(12(16)14-8)6-13-11(15)9-2-4-17-5-3-9;1-4-3-11-5(6(12)10-4)2-9-7(11)8/h2,6-7H,3-5H2,1H3,(H,14,16);2-3H,1H3,(H,10,12)
InChIKeyJPXLHBWHVFLAFT-UHFFFAOYSA-N
XLogP2.23
TPSA109.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one (CID 158988876) is 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(Br)ncc2c(=O)[nH]1.Cc1cn2c(C3=CCOCC3)ncc2c(=O)[nH]1.
What is the InChIKey of 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is JPXLHBWHVFLAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.C7H6BrN3O/c1-8-7-15-10(12(16)14-8)6-13-11(15)9-2-4-17-5-3-9;1-4-3-11-5(6(12)10-4)2-9-7(11)8/h2,6-7H,3-5H2,1H3,(H,14,16);2-3H,1H3,(H,10,12).
What are the key properties of 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 459.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 158988876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).