8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

C19H14BrFN4O — CID 130439725

IUPAC8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCNC(=O)c1ncn2c1CN=C(c1ccccc1F)c1cc(Br)ccc1-2
InChIInChI=1S/C19H14BrFN4O/c1-22-19(26)18-16-9-23-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)25(16)10-24-18/h2-8,10H,9H2,1H3,(H,22,26)
InChIKeyCPENXESWRQWUKJ-UHFFFAOYSA-N
MW413.25 g/mol
LogP3.48
Rot. Bonds2

About 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (PubChem CID 130439725) has the molecular formula C19H14BrFN4O and a molecular weight of 413.25 g/mol. Its IUPAC name is 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
PubChem CID130439725
Molecular FormulaC19H14BrFN4O
Molecular Weight413.25 g/mol
Exact Mass412.03
IUPAC Name8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCNC(=O)c1ncn2c1CN=C(c1ccccc1F)c1cc(Br)ccc1-2
InChIInChI=1S/C19H14BrFN4O/c1-22-19(26)18-16-9-23-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)25(16)10-24-18/h2-8,10H,9H2,1H3,(H,22,26)
InChIKeyCPENXESWRQWUKJ-UHFFFAOYSA-N
XLogP3.48
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[8-bromo-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-4-methyl-1,3-oxazole
CID 134304633
1-[(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]ethanone
CID 167573068
3-[8-ethynyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-ethynyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 51035166
2,2,2-trifluoroethyl 8-ethynyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 21065278
(4R)-8-bromo-6-(2-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 177297112
[6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl] hydrogen carbonate
CID 70493241
(4R)-8-ethynyl-6-(2-fluorophenyl)-N,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-ethynyl-6-(2-fluorophenyl)-N,N,4-trimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 161402291
ethyl (4R)-8-bromo-4-ethyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 42603927
8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 134309521
8-bromo-6-phenyl-3-(1,1,2,2-tetrafluoropropyl)-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 89212039
8-chloro-6-(2-fluorophenyl)-N,N,1-trimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12801958
7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
CID 22153716

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The IUPAC name of 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (CID 130439725) is 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is CNC(=O)c1ncn2c1CN=C(c1ccccc1F)c1cc(Br)ccc1-2.
What is the InChIKey of 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The InChIKey is CPENXESWRQWUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN4O/c1-22-19(26)18-16-9-23-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)25(16)10-24-18/h2-8,10H,9H2,1H3,(H,22,26).
What are the key properties of 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide has a molecular weight of 413.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 130439725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).