7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one

C27H23Cl2N5O4 — CID 158046655

IUPAC7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(-n2c(C(=O)CCc3ccnnc3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C27H23Cl2N5O4/c1-38-20-6-4-19(5-7-20)34-25(24(35)9-2-17-10-11-30-31-15-17)23-16-32(12-13-33(23)27(34)37)26(36)18-3-8-21(28)22(29)14-18/h3-8,10-11,14-15H,2,9,12-13,16H2,1H3
InChIKeyFIZMNZYNQNDSJC-UHFFFAOYSA-N
MW552.42 g/mol
LogP4.22
Rot. Bonds7

About 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one

7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 158046655) has the molecular formula C27H23Cl2N5O4 and a molecular weight of 552.42 g/mol. Its IUPAC name is 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
PubChem CID158046655
Molecular FormulaC27H23Cl2N5O4
Molecular Weight552.42 g/mol
Exact Mass551.11
IUPAC Name7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(-n2c(C(=O)CCc3ccnnc3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C27H23Cl2N5O4/c1-38-20-6-4-19(5-7-20)34-25(24(35)9-2-17-10-11-30-31-15-17)23-16-32(12-13-33(23)27(34)37)26(36)18-3-8-21(28)22(29)14-18/h3-8,10-11,14-15H,2,9,12-13,16H2,1H3
InChIKeyFIZMNZYNQNDSJC-UHFFFAOYSA-N
XLogP4.22
TPSA99.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one (CID 158046655) is 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one is COc1ccc(-n2c(C(=O)CCc3ccnnc3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1.
What is the InChIKey of 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is FIZMNZYNQNDSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N5O4/c1-38-20-6-4-19(5-7-20)34-25(24(35)9-2-17-10-11-30-31-15-17)23-16-32(12-13-33(23)27(34)37)26(36)18-3-8-21(28)22(29)14-18/h3-8,10-11,14-15H,2,9,12-13,16H2,1H3.
What are the key properties of 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?
7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 552.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 158046655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).