(2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one

C24H34N4OS — CID 164608776

IUPAC(2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C24H34N4OS/c1-30-15-12-20(25)24(29)28-14-13-27-17-21(19-10-6-3-7-11-19)26-23(27)22(28)16-18-8-4-2-5-9-18/h3,6-7,10-11,17-18,20,22H,2,4-5,8-9,12-16,25H2,1H3/t20-,22-/m0/s1
InChIKeyTWBIHVHVQYIHSE-UNMCSNQZSA-N
MW426.63 g/mol
LogP4.48
Rot. Bonds7

About (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one

(2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one (PubChem CID 164608776) has the molecular formula C24H34N4OS and a molecular weight of 426.63 g/mol. Its IUPAC name is (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one
PubChem CID164608776
Molecular FormulaC24H34N4OS
Molecular Weight426.63 g/mol
Exact Mass426.25
IUPAC Name(2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C24H34N4OS/c1-30-15-12-20(25)24(29)28-14-13-27-17-21(19-10-6-3-7-11-19)26-23(27)22(28)16-18-8-4-2-5-9-18/h3,6-7,10-11,17-18,20,22H,2,4-5,8-9,12-16,25H2,1H3/t20-,22-/m0/s1
InChIKeyTWBIHVHVQYIHSE-UNMCSNQZSA-N
XLogP4.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one with MolForge

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Related Compounds

3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
(2R,2'R)-3,3'-disulfanediylbis(2-amino-1-((S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)propan-1-one)
CID 11593027
N-((1S)-1-(3-fluorophenyl)-3-((1R,5S)-3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)propyl)tetrahydro-2H-thiopyran-4-carboxamide
CID 52942126
N-(5-Methyl-imidazo[1,2-a]pyridin-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9802758
N-Imidazo[1,2-a]pyridin-6-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9823195
N-Imidazo[1,2-a]pyridin-7-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9844807
N-[(1S)-3-[(1S,5R)-7-(2-methylbenzimidazol-1-yl)-3-thia-9-azabicyclo[3.3.1]nonan-9-yl]-1-phenyl-propyl]cyclobutanecarboxamide
CID 11656080
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methylphenyl)methyl]propanamide
CID 16009163
1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-2-carboxamide
CID 44589485
(S)-1-methyl-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-4-carboxamide
CID 44589487
(S)-2-(4-methylpiperazin-1-yl)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)acetamide
CID 44589488
(2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methyl-butan-1-one
CID 49858419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one (CID 164608776) is (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one is CSCC[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1.
What is the InChIKey of (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one?
The InChIKey is TWBIHVHVQYIHSE-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H34N4OS/c1-30-15-12-20(25)24(29)28-14-13-27-17-21(19-10-6-3-7-11-19)26-23(27)22(28)16-18-8-4-2-5-9-18/h3,6-7,10-11,17-18,20,22H,2,4-5,8-9,12-16,25H2,1H3/t20-,22-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one?
(2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one has a molecular weight of 426.63 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-methylsulfanylbutan-1-one is sourced from PubChem (CID 164608776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).