N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide

C22H15BrF2N4O — CID 58486649

IUPACN-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCn1c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)cc(-c2ccccc2)c1Br
InChIInChI=1S/C22H15BrF2N4O/c1-29-18(10-14(21(29)23)13-6-3-2-4-7-13)17-11-27-19(12-26-17)28-22(30)20-15(24)8-5-9-16(20)25/h2-12H,1H3,(H,27,28,30)
InChIKeyYHRKUDYOSMGADA-UHFFFAOYSA-N
MW469.29 g/mol
LogP5.44
Rot. Bonds4

About N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 58486649) has the molecular formula C22H15BrF2N4O and a molecular weight of 469.29 g/mol. Its IUPAC name is N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID58486649
Molecular FormulaC22H15BrF2N4O
Molecular Weight469.29 g/mol
Exact Mass468.04
IUPAC NameN-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCn1c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)cc(-c2ccccc2)c1Br
InChIInChI=1S/C22H15BrF2N4O/c1-29-18(10-14(21(29)23)13-6-3-2-4-7-13)17-11-27-19(12-26-17)28-22(30)20-15(24)8-5-9-16(20)25/h2-12H,1H3,(H,27,28,30)
InChIKeyYHRKUDYOSMGADA-UHFFFAOYSA-N
XLogP5.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.29
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide (CID 58486649) is N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide is Cn1c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)cc(-c2ccccc2)c1Br.
What is the InChIKey of N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is YHRKUDYOSMGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF2N4O/c1-29-18(10-14(21(29)23)13-6-3-2-4-7-13)17-11-27-19(12-26-17)28-22(30)20-15(24)8-5-9-16(20)25/h2-12H,1H3,(H,27,28,30).
What are the key properties of N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 469.29 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 58486649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).