7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C32H26BrClFN5O4 — CID 155285355

IUPAC7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccc(C#N)cc1F
InChIInChI=1S/C32H26BrClFN5O4/c1-18(24-10-2-19(16-36)14-27(24)35)37-30(41)29-28-17-38(31(42)20-3-11-25(33)26(34)15-20)12-13-39(28)32(43)40(29)21-4-6-22(7-5-21)44-23-8-9-23/h2-7,10-11,14-15,18,23H,8-9,12-13,17H2,1H3,(H,37,41)/t18-/m1/s1
InChIKeySUGCDJUAFKZQGF-GOSISDBHSA-N
MW678.95 g/mol
LogP5.75
Rot. Bonds7

About 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285355) has the molecular formula C32H26BrClFN5O4 and a molecular weight of 678.95 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155285355
Molecular FormulaC32H26BrClFN5O4
Molecular Weight678.95 g/mol
Exact Mass677.08
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccc(C#N)cc1F
InChIInChI=1S/C32H26BrClFN5O4/c1-18(24-10-2-19(16-36)14-27(24)35)37-30(41)29-28-17-38(31(42)20-3-11-25(33)26(34)15-20)12-13-39(28)32(43)40(29)21-4-6-22(7-5-21)44-23-8-9-23/h2-7,10-11,14-15,18,23H,8-9,12-13,17H2,1H3,(H,37,41)/t18-/m1/s1
InChIKeySUGCDJUAFKZQGF-GOSISDBHSA-N
XLogP5.75
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.95
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-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-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285355) is 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-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-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccc(C#N)cc1F.
What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is SUGCDJUAFKZQGF-GOSISDBHSA-N. The full InChI is InChI=1S/C32H26BrClFN5O4/c1-18(24-10-2-19(16-36)14-27(24)35)37-30(41)29-28-17-38(31(42)20-3-11-25(33)26(34)15-20)12-13-39(28)32(43)40(29)21-4-6-22(7-5-21)44-23-8-9-23/h2-7,10-11,14-15,18,23H,8-9,12-13,17H2,1H3,(H,37,41)/t18-/m1/s1.
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(4-bromo-3-chlorobenzoyl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 678.95 g/mol, XLogP of 5.75, 7 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-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]-2-(4-cyclopropyloxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).