7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C31H30Cl2N4O4 — CID 155285463

About 7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285463) has the molecular formula C31H30Cl2N4O4 and a molecular weight of 593.51 g/mol. Its IUPAC name is 7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285463
• Molecular Formula: C31H30Cl2N4O4
• Molecular Weight: 593.51 g/mol
• Exact Mass: 592.16
• IUPAC Name: 7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: CC(C)Oc1ccc(-n2c(C(=O)N[C@@H](C)c3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1
• InChI: InChI=1S/C31H30Cl2N4O4/c1-19(2)41-24-12-10-23(11-13-24)37-28(29(38)34-20(3)21-7-5-4-6-8-21)27-18-35(15-16-36(27)31(37)40)30(39)22-9-14-25(32)26(33)17-22/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,34,38)/t20-/m0/s1
• InChIKey: XRAIDTQXIRSKJM-FQEVSTJZSA-N
• XLogP: 5.88
• TPSA: 85.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.51
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285463) is 7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for 7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CC(C)Oc1ccc(-n2c(C(=O)N[C@@H](C)c3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1.

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

The InChIKey is XRAIDTQXIRSKJM-FQEVSTJZSA-N. The full InChI is InChI=1S/C31H30Cl2N4O4/c1-19(2)41-24-12-10-23(11-13-24)37-28(29(38)34-20(3)21-7-5-4-6-8-21)27-18-35(15-16-36(27)31(37)40)30(39)22-9-14-25(32)26(33)17-22/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,34,38)/t20-/m0/s1.

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

7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 593.51 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dichlorobenzoyl)-3-oxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).