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

C22H29N3O2 — CID 164612665

IUPAC(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C22H29N3O2/c1-16(26)22(27)25-13-12-24-15-19(18-10-6-3-7-11-18)23-21(24)20(25)14-17-8-4-2-5-9-17/h3,6-7,10-11,15-17,20,26H,2,4-5,8-9,12-14H2,1H3/t16-,20-/m0/s1
InChIKeyNXGRMSXTIBRXOY-JXFKEZNVSA-N
MW367.49 g/mol
LogP3.78
Rot. Bonds4

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

(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one (PubChem CID 164612665) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one
PubChem CID164612665
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1
InChIInChI=1S/C22H29N3O2/c1-16(26)22(27)25-13-12-24-15-19(18-10-6-3-7-11-18)23-21(24)20(25)14-17-8-4-2-5-9-17/h3,6-7,10-11,15-17,20,26H,2,4-5,8-9,12-14H2,1H3/t16-,20-/m0/s1
InChIKeyNXGRMSXTIBRXOY-JXFKEZNVSA-N
XLogP3.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one (CID 164612665) is (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one is C[C@H](O)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1.
What is the InChIKey of (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one?
The InChIKey is NXGRMSXTIBRXOY-JXFKEZNVSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(26)22(27)25-13-12-24-15-19(18-10-6-3-7-11-18)23-21(24)20(25)14-17-8-4-2-5-9-17/h3,6-7,10-11,15-17,20,26H,2,4-5,8-9,12-14H2,1H3/t16-,20-/m0/s1.
What are the key properties of (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one?
(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one has a molecular weight of 367.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 164612665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).