(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

About (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

(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 (PubChem CID 89300461) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name	(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
PubChem CID	89300461
Molecular Formula	C21H30N4OS
Molecular Weight	386.57 g/mol
Exact Mass	386.21
IUPAC Name	(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
SMILES	CCCC(C)C[C@H]1c2nc(-c3ccccc3)cn2CCN1C(=O)[C@@H](N)CS
InChI	InChI=1S/C21H30N4OS/c1-3-7-15(2)12-19-20-23-18(16-8-5-4-6-9-16)13-24(20)10-11-25(19)21(26)17(22)14-27/h4-6,8-9,13,15,17,19,27H,3,7,10-12,14,22H2,1-2H3/t15?,17-,19-/m0/s1
InChIKey	UFOWEXCMPZEKBA-UCSNYFEVSA-N
XLogP	3.52
TPSA	64.15 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.57
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CCCC(C)C[C@H]1c2nc(-c3ccccc3)cn2CCN1C(=O)[C@@H](N)CS.

What is the InChIKey of (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?

The InChIKey is UFOWEXCMPZEKBA-UCSNYFEVSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-3-7-15(2)12-19-20-23-18(16-8-5-4-6-9-16)13-24(20)10-11-25(19)21(26)17(22)14-27/h4-6,8-9,13,15,17,19,27H,3,7,10-12,14,22H2,1-2H3/t15?,17-,19-/m0/s1.

What are the key properties of (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?

(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 has a molecular weight of 386.57 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 89300461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).