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

C24H33N3O — CID 164615803

IUPAC(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one
SMILESCC[C@H](C)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C24H33N3O/c1-3-18(2)24(28)27-15-14-26-17-21(20-12-8-5-9-13-20)25-23(26)22(27)16-19-10-6-4-7-11-19/h5,8-9,12-13,17-19,22H,3-4,6-7,10-11,14-16H2,1-2H3/t18-,22-/m0/s1
InChIKeyXTZMQCVVZSKTRC-AVRDEDQJSA-N
MW379.55 g/mol
LogP5.45
Rot. Bonds5

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

(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one (PubChem CID 164615803) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one
PubChem CID164615803
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one
SMILESCC[C@H](C)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C24H33N3O/c1-3-18(2)24(28)27-15-14-26-17-21(20-12-8-5-9-13-20)25-23(26)22(27)16-19-10-6-4-7-11-19/h5,8-9,12-13,17-19,22H,3-4,6-7,10-11,14-16H2,1-2H3/t18-,22-/m0/s1
InChIKeyXTZMQCVVZSKTRC-AVRDEDQJSA-N
XLogP5.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(methylamino)-3-sulfanylpropan-1-one
CID 164610108
1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-[[3-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]propan-1-one
CID 15950177
(2R)-2-amino-1-[(8S)-8-(2-methylpentyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
CID 89300461
8-(cyclohexylmethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 71190625
(2S)-2-amino-3-hydroxy-1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 164624052
(9S)-9-(cyclohexylmethyl)-2-phenyl-5,6,8,9-tetrahydroimidazo[1,2-a][1,4]diazepin-7-one
CID 155524100
(2R)-2-amino-1-[(8S)-8-(3-hydroxypropyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
CID 11574065
1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one
CID 164873686
tert-butyl N-[1-[8-(2-methylbutyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(methyldisulfanyl)-1-oxopropan-2-yl]carbamate;tert-butyl N-[2-oxo-2-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]carbamate;ethane;methylcyclohexane;propane
CID 142980299
tert-butyl N-[(2R)-1-[4-(cyclohexylmethyl)-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-[[(2R)-3-[4-(cyclohexylmethyl)-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]carbamate
CID 25253585
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
[3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 174989640

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one?
The IUPAC name of (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one (CID 164615803) is (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one.
What is the SMILES notation for (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one?
The canonical SMILES for (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one is CC[C@H](C)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1.
What is the InChIKey of (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one?
The InChIKey is XTZMQCVVZSKTRC-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H33N3O/c1-3-18(2)24(28)27-15-14-26-17-21(20-12-8-5-9-13-20)25-23(26)22(27)16-19-10-6-4-7-11-19/h5,8-9,12-13,17-19,22H,3-4,6-7,10-11,14-16H2,1-2H3/t18-,22-/m0/s1.
What are the key properties of (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one?
(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one has a molecular weight of 379.55 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one is sourced from PubChem (CID 164615803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).