N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C30H26ClN5O4 — CID 155302609

About N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155302609) has the molecular formula C30H26ClN5O4 and a molecular weight of 556.02 g/mol. Its IUPAC name is N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155302609
• Molecular Formula: C30H26ClN5O4
• Molecular Weight: 556.02 g/mol
• Exact Mass: 555.17
• IUPAC Name: N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: COc1ccc(-n2c(C(=O)NCc3ccccc3)c3n(c2=O)CCN(C(=O)c2cc4c(Cl)cccc4[nH]2)C3)cc1
• InChI: InChI=1S/C30H26ClN5O4/c1-40-21-12-10-20(11-13-21)36-27(28(37)32-17-19-6-3-2-4-7-19)26-18-34(14-15-35(26)30(36)39)29(38)25-16-22-23(31)8-5-9-24(22)33-25/h2-13,16,33H,14-15,17-18H2,1H3,(H,32,37)
• InChIKey: NDVWUWYOCRUQAL-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 101.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.02
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155302609) is N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc(-n2c(C(=O)NCc3ccccc3)c3n(c2=O)CCN(C(=O)c2cc4c(Cl)cccc4[nH]2)C3)cc1.

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

The InChIKey is NDVWUWYOCRUQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O4/c1-40-21-12-10-20(11-13-21)36-27(28(37)32-17-19-6-3-2-4-7-19)26-18-34(14-15-35(26)30(36)39)29(38)25-16-22-23(31)8-5-9-24(22)33-25/h2-13,16,33H,14-15,17-18H2,1H3,(H,32,37).

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

N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 556.02 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155302609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).