7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine

C15H17FN6 — CID 135759115

IUPAC7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCNCC1
InChIInChI=1S/C15H17FN6/c1-21-9-11-14(20-21)18-12-3-2-10(16)8-13(12)19-15(11)22-6-4-17-5-7-22/h2-3,8-9,17H,4-7H2,1H3,(H,18,20)
InChIKeyAATNUAIEJXUQIC-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.60
Rot. Bonds

About 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine

7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine (PubChem CID 135759115) has the molecular formula C15H17FN6 and a molecular weight of 300.34 g/mol. Its IUPAC name is 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine
PubChem CID135759115
Molecular FormulaC15H17FN6
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCNCC1
InChIInChI=1S/C15H17FN6/c1-21-9-11-14(20-21)18-12-3-2-10(16)8-13(12)19-15(11)22-6-4-17-5-7-22/h2-3,8-9,17H,4-7H2,1H3,(H,18,20)
InChIKeyAATNUAIEJXUQIC-UHFFFAOYSA-N
XLogP1.60
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The IUPAC name of 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine (CID 135759115) is 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine is Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCNCC1.
What is the InChIKey of 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The InChIKey is AATNUAIEJXUQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6/c1-21-9-11-14(20-21)18-12-3-2-10(16)8-13(12)19-15(11)22-6-4-17-5-7-22/h2-3,8-9,17H,4-7H2,1H3,(H,18,20).
What are the key properties of 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine has a molecular weight of 300.34 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-4-piperazin-1-yl-10H-pyrazolo[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 135759115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).