1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one

C23H31N3O — CID 164618221

IUPAC1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C23H31N3O/c1-17(2)23(27)26-14-13-25-16-20(19-11-7-4-8-12-19)24-22(25)21(26)15-18-9-5-3-6-10-18/h4,7-8,11-12,16-18,21H,3,5-6,9-10,13-15H2,1-2H3/t21-/m0/s1
InChIKeyVGJNZDPRDOIYQP-NRFANRHFSA-N
MW365.52 g/mol
LogP5.06
Rot. Bonds4

About 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one

1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one (PubChem CID 164618221) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
PubChem CID164618221
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C23H31N3O/c1-17(2)23(27)26-14-13-25-16-20(19-11-7-4-8-12-19)24-22(25)21(26)15-18-9-5-3-6-10-18/h4,7-8,11-12,16-18,21H,3,5-6,9-10,13-15H2,1-2H3/t21-/m0/s1
InChIKeyVGJNZDPRDOIYQP-NRFANRHFSA-N
XLogP5.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one (CID 164618221) is 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1.
What is the InChIKey of 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
The InChIKey is VGJNZDPRDOIYQP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17(2)23(27)26-14-13-25-16-20(19-11-7-4-8-12-19)24-22(25)21(26)15-18-9-5-3-6-10-18/h4,7-8,11-12,16-18,21H,3,5-6,9-10,13-15H2,1-2H3/t21-/m0/s1.
What are the key properties of 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one has a molecular weight of 365.52 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one is sourced from PubChem (CID 164618221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).