7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C31H28BrClN4O5 — CID 167366421

IUPAC7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ccc(-n2c(C(=O)NC3CCc4cc(OC)ccc43)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
InChIInChI=1S/C31H28BrClN4O5/c1-41-21-7-5-20(6-8-21)37-28(29(38)34-26-12-4-18-15-22(42-2)9-10-23(18)26)27-17-35(13-14-36(27)31(37)40)30(39)19-3-11-24(32)25(33)16-19/h3,5-11,15-16,26H,4,12-14,17H2,1-2H3,(H,34,38)
InChIKeyIWOOUQZIJNVXQR-UHFFFAOYSA-N
MW651.95 g/mol
LogP5.15
Rot. Bonds6

About 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 167366421) has the molecular formula C31H28BrClN4O5 and a molecular weight of 651.95 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID167366421
Molecular FormulaC31H28BrClN4O5
Molecular Weight651.95 g/mol
Exact Mass650.09
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ccc(-n2c(C(=O)NC3CCc4cc(OC)ccc43)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
InChIInChI=1S/C31H28BrClN4O5/c1-41-21-7-5-20(6-8-21)37-28(29(38)34-26-12-4-18-15-22(42-2)9-10-23(18)26)27-17-35(13-14-36(27)31(37)40)30(39)19-3-11-24(32)25(33)16-19/h3,5-11,15-16,26H,4,12-14,17H2,1-2H3,(H,34,38)
InChIKeyIWOOUQZIJNVXQR-UHFFFAOYSA-N
XLogP5.15
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.95
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 167366421) is 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc(-n2c(C(=O)NC3CCc4cc(OC)ccc43)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1.
What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is IWOOUQZIJNVXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28BrClN4O5/c1-41-21-7-5-20(6-8-21)37-28(29(38)34-26-12-4-18-15-22(42-2)9-10-23(18)26)27-17-35(13-14-36(27)31(37)40)30(39)19-3-11-24(32)25(33)16-19/h3,5-11,15-16,26H,4,12-14,17H2,1-2H3,(H,34,38).
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 651.95 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-chlorobenzoyl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 167366421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).