(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

C18H24N4O2 — CID 164624052

IUPAC(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
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)cn2CCN1C(=O)[C@@H](N)CO
InChIInChI=1S/C18H24N4O2/c1-12(2)16-17-20-15(13-6-4-3-5-7-13)10-21(17)8-9-22(16)18(24)14(19)11-23/h3-7,10,12,14,16,23H,8-9,11,19H2,1-2H3/t14-,16-/m0/s1
InChIKeyKJPDTMPPWVYJSR-HOCLYGCPSA-N
MW328.42 g/mol
LogP1.41
Rot. Bonds4

About (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

(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 (PubChem CID 164624052) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164624052
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(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
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)cn2CCN1C(=O)[C@@H](N)CO
InChIInChI=1S/C18H24N4O2/c1-12(2)16-17-20-15(13-6-4-3-5-7-13)10-21(17)8-9-22(16)18(24)14(19)11-23/h3-7,10,12,14,16,23H,8-9,11,19H2,1-2H3/t14-,16-/m0/s1
InChIKeyKJPDTMPPWVYJSR-HOCLYGCPSA-N
XLogP1.41
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

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CID 9823195
N-Imidazo[1,2-a]pyridin-7-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9844807
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7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one
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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[C@H]1c2nc(-c3ccccc3)cn2CCN1C(=O)[C@@H](N)CO.
What is the InChIKey of (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?
The InChIKey is KJPDTMPPWVYJSR-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)16-17-20-15(13-6-4-3-5-7-13)10-21(17)8-9-22(16)18(24)14(19)11-23/h3-7,10,12,14,16,23H,8-9,11,19H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 328.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 164624052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).