2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one

C20H27N3O — CID 164627484

IUPAC2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
SMILESCC(C)C[C@@H]1c2nc(-c3ccccc3)cn2CCN1C(=O)C(C)C
InChIInChI=1S/C20H27N3O/c1-14(2)12-18-19-21-17(16-8-6-5-7-9-16)13-22(19)10-11-23(18)20(24)15(3)4/h5-9,13-15,18H,10-12H2,1-4H3/t18-/m1/s1
InChIKeyXQTXNLPKBJRSNO-GOSISDBHSA-N
MW325.46 g/mol
LogP4.14
Rot. Bonds4

About 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one

2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one (PubChem CID 164627484) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
PubChem CID164627484
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
SMILESCC(C)C[C@@H]1c2nc(-c3ccccc3)cn2CCN1C(=O)C(C)C
InChIInChI=1S/C20H27N3O/c1-14(2)12-18-19-21-17(16-8-6-5-7-9-16)13-22(19)10-11-23(18)20(24)15(3)4/h5-9,13-15,18H,10-12H2,1-4H3/t18-/m1/s1
InChIKeyXQTXNLPKBJRSNO-GOSISDBHSA-N
XLogP4.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one (CID 164627484) is 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one is CC(C)C[C@@H]1c2nc(-c3ccccc3)cn2CCN1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
The InChIKey is XQTXNLPKBJRSNO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(2)12-18-19-21-17(16-8-6-5-7-9-16)13-22(19)10-11-23(18)20(24)15(3)4/h5-9,13-15,18H,10-12H2,1-4H3/t18-/m1/s1.
What are the key properties of 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one has a molecular weight of 325.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(8R)-8-(2-methylpropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 164627484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).