5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine

C17H19N5 — CID 15654862

IUPAC5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3ccncc32)CC1
InChIInChI=1S/C17H19N5/c1-21-8-10-22(11-9-21)17-13-12-18-7-6-14(13)19-15-4-2-3-5-16(15)20-17/h2-7,12,19H,8-11H2,1H3
InChIKeyYIWJZRDFRBCBID-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.46
Rot. Bonds

About 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine

5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine (PubChem CID 15654862) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine
PubChem CID15654862
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3ccncc32)CC1
InChIInChI=1S/C17H19N5/c1-21-8-10-22(11-9-21)17-13-12-18-7-6-14(13)19-15-4-2-3-5-16(15)20-17/h2-7,12,19H,8-11H2,1H3
InChIKeyYIWJZRDFRBCBID-UHFFFAOYSA-N
XLogP2.46
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine (CID 15654862) is 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine is CN1CCN(C2=Nc3ccccc3Nc3ccncc32)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine?
The InChIKey is YIWJZRDFRBCBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-21-8-10-22(11-9-21)17-13-12-18-7-6-14(13)19-15-4-2-3-5-16(15)20-17/h2-7,12,19H,8-11H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine?
5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine has a molecular weight of 293.37 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-11H-pyrido[4,3-b][1,5]benzodiazepine is sourced from PubChem (CID 15654862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).