7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine

C17H13FN4 — CID 135484509

IUPAC7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
SMILESCc1[nH]nc2c1N=C(c1ccccc1)c1cc(F)ccc1N2
InChIInChI=1S/C17H13FN4/c1-10-15-17(22-21-10)19-14-8-7-12(18)9-13(14)16(20-15)11-5-3-2-4-6-11/h2-9H,1H3,(H2,19,21,22)
InChIKeyJSBYEJZZQCWTMM-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.08
Rot. Bonds1

About 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine

7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine (PubChem CID 135484509) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine.

Molecular Properties

Compound Name7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
PubChem CID135484509
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
SMILESCc1[nH]nc2c1N=C(c1ccccc1)c1cc(F)ccc1N2
InChIInChI=1S/C17H13FN4/c1-10-15-17(22-21-10)19-14-8-7-12(18)9-13(14)16(20-15)11-5-3-2-4-6-11/h2-9H,1H3,(H2,19,21,22)
InChIKeyJSBYEJZZQCWTMM-UHFFFAOYSA-N
XLogP4.08
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
The IUPAC name of 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine (CID 135484509) is 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine.
What is the SMILES notation for 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
The canonical SMILES for 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine is Cc1[nH]nc2c1N=C(c1ccccc1)c1cc(F)ccc1N2.
What is the InChIKey of 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
The InChIKey is JSBYEJZZQCWTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4/c1-10-15-17(22-21-10)19-14-8-7-12(18)9-13(14)16(20-15)11-5-3-2-4-6-11/h2-9H,1H3,(H2,19,21,22).
What are the key properties of 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine has a molecular weight of 292.32 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine is sourced from PubChem (CID 135484509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).