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

C35H28BrClFN5O4 — CID 155285326

IUPAC7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESO=C(NCc1ccccc1-c1ncccc1F)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
InChIInChI=1S/C35H28BrClFN5O4/c36-27-14-7-21(18-28(27)37)34(45)41-16-17-42-30(20-41)32(43(35(42)46)23-8-10-24(11-9-23)47-25-12-13-25)33(44)40-19-22-4-1-2-5-26(22)31-29(38)6-3-15-39-31/h1-11,14-15,18,25H,12-13,16-17,19-20H2,(H,40,44)
InChIKeyLNBDTRORAKNXAS-UHFFFAOYSA-N
MW717.00 g/mol
LogP6.38
Rot. Bonds8

About 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)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-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285326) has the molecular formula C35H28BrClFN5O4 and a molecular weight of 717.00 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155285326
Molecular FormulaC35H28BrClFN5O4
Molecular Weight717.00 g/mol
Exact Mass715.10
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESO=C(NCc1ccccc1-c1ncccc1F)c1c2n(c(=O)n1-c1ccc(OC3CC3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
InChIInChI=1S/C35H28BrClFN5O4/c36-27-14-7-21(18-28(27)37)34(45)41-16-17-42-30(20-41)32(43(35(42)46)23-8-10-24(11-9-23)47-25-12-13-25)33(44)40-19-22-4-1-2-5-26(22)31-29(38)6-3-15-39-31/h1-11,14-15,18,25H,12-13,16-17,19-20H2,(H,40,44)
InChIKeyLNBDTRORAKNXAS-UHFFFAOYSA-N
XLogP6.38
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.00
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)phenyl]methyl]-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)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)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-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285326) is 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)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-(3-fluoro-2-pyridinyl)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-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccccc1-c1ncccc1F)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-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is LNBDTRORAKNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28BrClFN5O4/c36-27-14-7-21(18-28(27)37)34(45)41-16-17-42-30(20-41)32(43(35(42)46)23-8-10-24(11-9-23)47-25-12-13-25)33(44)40-19-22-4-1-2-5-26(22)31-29(38)6-3-15-39-31/h1-11,14-15,18,25H,12-13,16-17,19-20H2,(H,40,44).
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)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-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 717.00 g/mol, XLogP of 6.38, 8 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)-2-(4-cyclopropyloxyphenyl)-N-[[2-(3-fluoro-2-pyridinyl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).