4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine

C15H18N6 — CID 142650246

IUPAC4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3[nH]ncc32)CC1
InChIInChI=1S/C15H18N6/c1-20-6-8-21(9-7-20)15-11-10-16-19-14(11)17-12-4-2-3-5-13(12)18-15/h2-5,10H,6-9H2,1H3,(H2,16,17,19)
InChIKeyFGQVCHAHVNREOL-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.79
Rot. Bonds

About 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine

4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine (PubChem CID 142650246) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine
PubChem CID142650246
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3[nH]ncc32)CC1
InChIInChI=1S/C15H18N6/c1-20-6-8-21(9-7-20)15-11-10-16-19-14(11)17-12-4-2-3-5-13(12)18-15/h2-5,10H,6-9H2,1H3,(H2,16,17,19)
InChIKeyFGQVCHAHVNREOL-UHFFFAOYSA-N
XLogP1.79
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine;hydroiodide
CID 173063339
4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine
CID 3045973
3-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
CID 135686415
[4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol;molecular iodine
CID 162122170
2-methyl-4-(4-methylpiperazin-1-yl)-3-(2-methylprop-2-enyl)-1H-1,5-benzodiazepine
CID 170150290
2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine;bis(2,2,2-trifluoroethanol)
CID 139146451
2,2-dimethyl-4-[4-(10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]butanoic acid
CID 135523896
2-methyl-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
CID 135409492
2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine;2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-amine;4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazine-1-carbaldehyde;piperazine-1-carbaldehyde;hydrochloride
CID 160718880
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine;hydrochloride
CID 138399673
8-(18F)fluoro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
CID 46846857
2-ethyl-7-fluoro-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
CID 135759109

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine (CID 142650246) is 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine is CN1CCN(C2=Nc3ccccc3Nc3[nH]ncc32)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine?
The InChIKey is FGQVCHAHVNREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-20-6-8-21(9-7-20)15-11-10-16-19-14(11)17-12-4-2-3-5-13(12)18-15/h2-5,10H,6-9H2,1H3,(H2,16,17,19).
What are the key properties of 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine?
4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine has a molecular weight of 282.35 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-1,10-dihydropyrazolo[5,4-b][1,5]benzodiazepine is sourced from PubChem (CID 142650246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).