(5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C18H19ClN4O2 — CID 124817010

IUPAC(5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCN(C)C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21
InChIInChI=1S/C18H19ClN4O2/c1-21(2)8-15-10-22(9-14-7-20-11-23(14)15)18(24)17-6-12-5-13(19)3-4-16(12)25-17/h3-7,11,15H,8-10H2,1-2H3/t15-/m0/s1
InChIKeyNAEJXMMVDFNIBM-HNNXBMFYSA-N
MW358.83 g/mol
LogP3.04
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 124817010) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID124817010
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name(5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCN(C)C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21
InChIInChI=1S/C18H19ClN4O2/c1-21(2)8-15-10-22(9-14-7-20-11-23(14)15)18(24)17-6-12-5-13(19)3-4-16(12)25-17/h3-7,11,15H,8-10H2,1-2H3/t15-/m0/s1
InChIKeyNAEJXMMVDFNIBM-HNNXBMFYSA-N
XLogP3.04
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 124817010) is (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is CN(C)C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is NAEJXMMVDFNIBM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-21(2)8-15-10-22(9-14-7-20-11-23(14)15)18(24)17-6-12-5-13(19)3-4-16(12)25-17/h3-7,11,15H,8-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 358.83 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 124817010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).