5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine

C17H12ClFN4O — CID 135467075

IUPAC5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine
SMILESCOc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1cn[nH]c1N2
InChIInChI=1S/C17H12ClFN4O/c1-24-15-7-13-10(6-12(15)19)16(9-4-2-3-5-11(9)18)21-14-8-20-23-17(14)22-13/h2-8H,1H3,(H2,20,22,23)
InChIKeyUJGSJXRJQANYTN-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.44
Rot. Bonds2

About 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine

5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine (PubChem CID 135467075) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine
PubChem CID135467075
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine
SMILESCOc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1cn[nH]c1N2
InChIInChI=1S/C17H12ClFN4O/c1-24-15-7-13-10(6-12(15)19)16(9-4-2-3-5-11(9)18)21-14-8-20-23-17(14)22-13/h2-8H,1H3,(H2,20,22,23)
InChIKeyUJGSJXRJQANYTN-UHFFFAOYSA-N
XLogP4.44
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine?
The IUPAC name of 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine (CID 135467075) is 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine.
What is the SMILES notation for 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine?
The canonical SMILES for 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine is COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1cn[nH]c1N2.
What is the InChIKey of 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine?
The InChIKey is UJGSJXRJQANYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c1-24-15-7-13-10(6-12(15)19)16(9-4-2-3-5-11(9)18)21-14-8-20-23-17(14)22-13/h2-8H,1H3,(H2,20,22,23).
What are the key properties of 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine?
5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine has a molecular weight of 342.76 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine is sourced from PubChem (CID 135467075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).