1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one

C26H35N7O3 — CID 155464093

IUPAC1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
SMILESCC(=O)N1CCN(c2cnc(CN3CCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)cn2)CC1
InChIInChI=1S/C26H35N7O3/c1-20(34)30-8-10-31(11-9-30)25-15-27-23(14-28-25)17-32-12-13-33(26(32)36)19-24(35)18-29-7-6-21-4-2-3-5-22(21)16-29/h2-5,14-15,24,35H,6-13,16-19H2,1H3/t24-/m1/s1
InChIKeyGTYOEWNYNNGEMM-XMMPIXPASA-N
MW493.61 g/mol
LogP0.80
Rot. Bonds7

About 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one

1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one (PubChem CID 155464093) has the molecular formula C26H35N7O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
PubChem CID155464093
Molecular FormulaC26H35N7O3
Molecular Weight493.61 g/mol
Exact Mass493.28
IUPAC Name1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
SMILESCC(=O)N1CCN(c2cnc(CN3CCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)cn2)CC1
InChIInChI=1S/C26H35N7O3/c1-20(34)30-8-10-31(11-9-30)25-15-27-23(14-28-25)17-32-12-13-33(26(32)36)19-24(35)18-29-7-6-21-4-2-3-5-22(21)16-29/h2-5,14-15,24,35H,6-13,16-19H2,1H3/t24-/m1/s1
InChIKeyGTYOEWNYNNGEMM-XMMPIXPASA-N
XLogP0.80
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?
The IUPAC name of 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one (CID 155464093) is 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?
The canonical SMILES for 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one is CC(=O)N1CCN(c2cnc(CN3CCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)cn2)CC1.
What is the InChIKey of 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?
The InChIKey is GTYOEWNYNNGEMM-XMMPIXPASA-N. The full InChI is InChI=1S/C26H35N7O3/c1-20(34)30-8-10-31(11-9-30)25-15-27-23(14-28-25)17-32-12-13-33(26(32)36)19-24(35)18-29-7-6-21-4-2-3-5-22(21)16-29/h2-5,14-15,24,35H,6-13,16-19H2,1H3/t24-/m1/s1.
What are the key properties of 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?
1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one has a molecular weight of 493.61 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-acetylpiperazin-1-yl)pyrazin-2-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one is sourced from PubChem (CID 155464093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).