7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C17H19ClN4O2 — CID 133141215

IUPAC7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCc2ccc(Cl)cc2)Cc2cncn21
InChIInChI=1S/C17H19ClN4O2/c1-19-17(24)15-10-21(9-14-8-20-11-22(14)15)16(23)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,8,11,15H,4,7,9-10H2,1H3,(H,19,24)
InChIKeyNVMGSZRAWQOXLG-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.80
Rot. Bonds4

About 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 133141215) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID133141215
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCc2ccc(Cl)cc2)Cc2cncn21
InChIInChI=1S/C17H19ClN4O2/c1-19-17(24)15-10-21(9-14-8-20-11-22(14)15)16(23)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,8,11,15H,4,7,9-10H2,1H3,(H,19,24)
InChIKeyNVMGSZRAWQOXLG-UHFFFAOYSA-N
XLogP1.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(furan-3-ylmethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133136983
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133142253
4-chloro-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 108569833
(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
3-(4-chlorophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110422121
7-(2-ethoxyacetyl)-N-(furan-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131693822
N-[2-(4-chlorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 112529041
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 133141215) is 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is CNC(=O)C1CN(C(=O)CCc2ccc(Cl)cc2)Cc2cncn21.
What is the InChIKey of 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is NVMGSZRAWQOXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-19-17(24)15-10-21(9-14-8-20-11-22(14)15)16(23)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,8,11,15H,4,7,9-10H2,1H3,(H,19,24).
What are the key properties of 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 133141215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).