6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde

C18H19N5O — CID 15654858

IUPAC6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde
SMILESCN1CCN(C2=Nc3cccnc3N(C=O)c3ccccc32)CC1
InChIInChI=1S/C18H19N5O/c1-21-9-11-22(12-10-21)17-14-5-2-3-7-16(14)23(13-24)18-15(20-17)6-4-8-19-18/h2-8,13H,9-12H2,1H3
InChIKeyLCBGLYREBZKLKZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.02
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde

6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde (PubChem CID 15654858) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde
PubChem CID15654858
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde
SMILESCN1CCN(C2=Nc3cccnc3N(C=O)c3ccccc32)CC1
InChIInChI=1S/C18H19N5O/c1-21-9-11-22(12-10-21)17-14-5-2-3-7-16(14)23(13-24)18-15(20-17)6-4-8-19-18/h2-8,13H,9-12H2,1H3
InChIKeyLCBGLYREBZKLKZ-UHFFFAOYSA-N
XLogP2.02
TPSA52.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde?
The IUPAC name of 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde (CID 15654858) is 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde is CN1CCN(C2=Nc3cccnc3N(C=O)c3ccccc32)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde?
The InChIKey is LCBGLYREBZKLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-21-9-11-22(12-10-21)17-14-5-2-3-7-16(14)23(13-24)18-15(20-17)6-4-8-19-18/h2-8,13H,9-12H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde?
6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde has a molecular weight of 321.38 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine-11-carbaldehyde is sourced from PubChem (CID 15654858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).