(2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one

C23H32N4O2 — CID 164626066

IUPAC(2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C23H32N4O2/c1-16(28)21(24)23(29)27-13-12-26-15-19(18-10-6-3-7-11-18)25-22(26)20(27)14-17-8-4-2-5-9-17/h3,6-7,10-11,15-17,20-21,28H,2,4-5,8-9,12-14,24H2,1H3/t16-,20+,21+/m1/s1
InChIKeyGBKPEWNAIVUKIE-CZAAIQMYSA-N
MW396.54 g/mol
LogP3.11
Rot. Bonds5

About (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one

(2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one (PubChem CID 164626066) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one.

Molecular Properties

Compound Name(2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one
PubChem CID164626066
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C23H32N4O2/c1-16(28)21(24)23(29)27-13-12-26-15-19(18-10-6-3-7-11-18)25-22(26)20(27)14-17-8-4-2-5-9-17/h3,6-7,10-11,15-17,20-21,28H,2,4-5,8-9,12-14,24H2,1H3/t16-,20+,21+/m1/s1
InChIKeyGBKPEWNAIVUKIE-CZAAIQMYSA-N
XLogP3.11
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one?
The IUPAC name of (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one (CID 164626066) is (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one.
What is the SMILES notation for (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one?
The canonical SMILES for (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one is C[C@@H](O)[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1.
What is the InChIKey of (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one?
The InChIKey is GBKPEWNAIVUKIE-CZAAIQMYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16(28)21(24)23(29)27-13-12-26-15-19(18-10-6-3-7-11-18)25-22(26)20(27)14-17-8-4-2-5-9-17/h3,6-7,10-11,15-17,20-21,28H,2,4-5,8-9,12-14,24H2,1H3/t16-,20+,21+/m1/s1.
What are the key properties of (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one?
(2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one has a molecular weight of 396.54 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxybutan-1-one is sourced from PubChem (CID 164626066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).