5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

C16H8F4N4 — CID 166043259

IUPAC5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESFc1ccc2c(c1F)N=C(c1c(F)cccc1F)Nc1cn[nH]c1-2
InChIInChI=1S/C16H8F4N4/c17-8-2-1-3-9(18)12(8)16-22-11-6-21-24-14(11)7-4-5-10(19)13(20)15(7)23-16/h1-6H,(H,21,24)(H,22,23)
InChIKeyPNJCPFFAVNVIQN-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.14
Rot. Bonds1

About 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (PubChem CID 166043259) has the molecular formula C16H8F4N4 and a molecular weight of 332.26 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
PubChem CID166043259
Molecular FormulaC16H8F4N4
Molecular Weight332.26 g/mol
Exact Mass332.07
IUPAC Name5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESFc1ccc2c(c1F)N=C(c1c(F)cccc1F)Nc1cn[nH]c1-2
InChIInChI=1S/C16H8F4N4/c17-8-2-1-3-9(18)12(8)16-22-11-6-21-24-14(11)7-4-5-10(19)13(20)15(7)23-16/h1-6H,(H,21,24)(H,22,23)
InChIKeyPNJCPFFAVNVIQN-UHFFFAOYSA-N
XLogP4.14
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine with MolForge

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Related Compounds

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1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The IUPAC name of 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (CID 166043259) is 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The canonical SMILES for 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is Fc1ccc2c(c1F)N=C(c1c(F)cccc1F)Nc1cn[nH]c1-2.
What is the InChIKey of 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The InChIKey is PNJCPFFAVNVIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4N4/c17-8-2-1-3-9(18)12(8)16-22-11-6-21-24-14(11)7-4-5-10(19)13(20)15(7)23-16/h1-6H,(H,21,24)(H,22,23).
What are the key properties of 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine has a molecular weight of 332.26 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-7,8-difluoro-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is sourced from PubChem (CID 166043259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).