7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C29H24Cl2N6O4 — CID 155285722

About 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285722) has the molecular formula C29H24Cl2N6O4 and a molecular weight of 591.46 g/mol. Its IUPAC name is 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285722
• Molecular Formula: C29H24Cl2N6O4
• Molecular Weight: 591.46 g/mol
• Exact Mass: 590.12
• IUPAC Name: 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: COc1ccc(-n2c(C(=O)NCc3ccc4[nH]ncc4c3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1
• InChI: InChI=1S/C29H24Cl2N6O4/c1-41-21-6-4-20(5-7-21)37-26(27(38)32-14-17-2-9-24-19(12-17)15-33-34-24)25-16-35(10-11-36(25)29(37)40)28(39)18-3-8-22(30)23(31)13-18/h2-9,12-13,15H,10-11,14,16H2,1H3,(H,32,38)(H,33,34)
• InChIKey: JYGSUUQNVIFAGS-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 114.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.46
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285722) is 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc(-n2c(C(=O)NCc3ccc4[nH]ncc4c3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1.

What is the InChIKey of 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is JYGSUUQNVIFAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N6O4/c1-41-21-6-4-20(5-7-21)37-26(27(38)32-14-17-2-9-24-19(12-17)15-33-34-24)25-16-35(10-11-36(25)29(37)40)28(39)18-3-8-22(30)23(31)13-18/h2-9,12-13,15H,10-11,14,16H2,1H3,(H,32,38)(H,33,34).

What are the key properties of 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 591.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dichlorobenzoyl)-N-(1H-indazol-5-ylmethyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).