2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine

C16H20N6 — CID 135759093

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3nn(C)cc32)CC1
InChIInChI=1S/C16H20N6/c1-20-7-9-22(10-8-20)16-12-11-21(2)19-15(12)17-13-5-3-4-6-14(13)18-16/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyJRCCQSATNATUEI-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.80
Rot. Bonds

About 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine

2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (PubChem CID 135759093) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
PubChem CID135759093
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3nn(C)cc32)CC1
InChIInChI=1S/C16H20N6/c1-20-7-9-22(10-8-20)16-12-11-21(2)19-15(12)17-13-5-3-4-6-14(13)18-16/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyJRCCQSATNATUEI-UHFFFAOYSA-N
XLogP1.80
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine (CID 135759093) is 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is CN1CCN(C2=Nc3ccccc3Nc3nn(C)cc32)CC1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
The InChIKey is JRCCQSATNATUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-20-7-9-22(10-8-20)16-12-11-21(2)19-15(12)17-13-5-3-4-6-14(13)18-16/h3-6,11H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine?
2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine has a molecular weight of 296.38 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 135759093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).