7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C33H27BrClN5O5 — CID 155285473

About 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285473) has the molecular formula C33H27BrClN5O5 and a molecular weight of 688.97 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285473
• Molecular Formula: C33H27BrClN5O5
• Molecular Weight: 688.97 g/mol
• Exact Mass: 687.09
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: O=C(NCc1ccccc1-c1ncco1)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
• InChI: InChI=1S/C33H27BrClN5O5/c34-26-12-5-20(17-27(26)35)32(42)38-14-15-39-28(19-38)29(40(33(39)43)22-6-8-23(9-7-22)45-24-10-11-24)30(41)37-18-21-3-1-2-4-25(21)31-36-13-16-44-31/h1-9,12-13,16-17,24H,10-11,14-15,18-19H2,(H,37,41)
• InChIKey: MKMZIJSBMDTBPS-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 111.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.97
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285473) is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccccc1-c1ncco1)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2.

What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is MKMZIJSBMDTBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27BrClN5O5/c34-26-12-5-20(17-27(26)35)32(42)38-14-15-39-28(19-38)29(40(33(39)43)22-6-8-23(9-7-22)45-24-10-11-24)30(41)37-18-21-3-1-2-4-25(21)31-36-13-16-44-31/h1-9,12-13,16-17,24H,10-11,14-15,18-19H2,(H,37,41).

What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 688.97 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).