5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol

C17H12ClFN4O — CID 136638824

IUPAC5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol
SMILESCc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc(F)c(O)cc1N2
InChIInChI=1S/C17H12ClFN4O/c1-8-15-17(23-22-8)20-13-7-14(24)12(19)6-10(13)16(21-15)9-4-2-3-5-11(9)18/h2-7,24H,1H3,(H2,20,22,23)
InChIKeyGJFIAZBJJGAUHZ-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.44
Rot. Bonds1

About 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol

5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol (PubChem CID 136638824) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol
PubChem CID136638824
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol
SMILESCc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc(F)c(O)cc1N2
InChIInChI=1S/C17H12ClFN4O/c1-8-15-17(23-22-8)20-13-7-14(24)12(19)6-10(13)16(21-15)9-4-2-3-5-11(9)18/h2-7,24H,1H3,(H2,20,22,23)
InChIKeyGJFIAZBJJGAUHZ-UHFFFAOYSA-N
XLogP4.44
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol with MolForge

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Related Compounds

R-1530
CID 135398512
4-[3-[[5-(2-Chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]oxy]propyl]morpholine
CID 135400887
5-(2-Chlorophenyl)-1,2-dihydro-8-fluoro-7-methoxy-3-methyl-pyrazolo[3,4-b][1,4]benzodiazepine
CID 135428189
5-(2-Chlorophenyl)-1,2-dihydro-7-fluoro-8-(1-methylethoxy)-3-methyl-pyrazolo[3,4-b][1,4]benzodiazepine
CID 135461411
5-(2-Chlorophenyl)-7-fluoro-8-methoxy-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine
CID 135467075
5-(2-Chlorophenyl)-1,2-dihydro-7-fluoro-8-ethoxy-3-methyl-pyrazolo[3,4-b][1,4]benzodiazepine
CID 135487529
5-(2-Chlorophenyl)-1,2-dihydro-7-fluoro-8-methoxy-3-methyl-1-(2-propenyl)-pyrazolo[3,4-b][1,4]benzodiazepine
CID 135487544
5-(2-Chlorophenyl)-1,2-dihydro-7-fluoro-8-methoxyethoxy-3-methyl-pyrazolo[3,4-b][1,4]benzodiazepine
CID 135503000
5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-10H-pyrazolo[5,4-b][1,4]benzodiazepine-1-carboxamide
CID 136169316
5-(2-Chlorophenyl)-7-fluoro-8-(1-methoxyethoxy)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136334558
[5-(2-Chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol
CID 136507394
3-[3-(4-fluorophenyl)butan-2-ylideneamino]-4-[1-[(5-methyl-1H-pyrazol-3-yl)amino]ethenyl]phenol
CID 144340980

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol?
The IUPAC name of 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol (CID 136638824) is 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol.
What is the SMILES notation for 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol?
The canonical SMILES for 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol is Cc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc(F)c(O)cc1N2.
What is the InChIKey of 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol?
The InChIKey is GJFIAZBJJGAUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c1-8-15-17(23-22-8)20-13-7-14(24)12(19)6-10(13)16(21-15)9-4-2-3-5-11(9)18/h2-7,24H,1H3,(H2,20,22,23).
What are the key properties of 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol?
5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol has a molecular weight of 342.76 g/mol, XLogP of 4.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol is sourced from PubChem (CID 136638824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).