(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

C18H24N4O2S — CID 11574065

IUPAC(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
SMILESN[C@@H](CS)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CCCO
InChIInChI=1S/C18H24N4O2S/c19-14(12-25)18(24)22-9-8-21-11-15(13-5-2-1-3-6-13)20-17(21)16(22)7-4-10-23/h1-3,5-6,11,14,16,23,25H,4,7-10,12,19H2/t14-,16-/m0/s1
InChIKeyJAINXHFNADZMLB-HOCLYGCPSA-N
MW360.48 g/mol
LogP1.46
Rot. Bonds6

About (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

(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 (PubChem CID 11574065) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11574065
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name(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
SMILESN[C@@H](CS)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CCCO
InChIInChI=1S/C18H24N4O2S/c19-14(12-25)18(24)22-9-8-21-11-15(13-5-2-1-3-6-13)20-17(21)16(22)7-4-10-23/h1-3,5-6,11,14,16,23,25H,4,7-10,12,19H2/t14-,16-/m0/s1
InChIKeyJAINXHFNADZMLB-HOCLYGCPSA-N
XLogP1.46
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N[C@@H](CS)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CCCO.
What is the InChIKey of (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?
The InChIKey is JAINXHFNADZMLB-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H24N4O2S/c19-14(12-25)18(24)22-9-8-21-11-15(13-5-2-1-3-6-13)20-17(21)16(22)7-4-10-23/h1-3,5-6,11,14,16,23,25H,4,7-10,12,19H2/t14-,16-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 360.48 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11574065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).