N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine

C22H16N4 — CID 139224028

IUPACN,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine
SMILESc1ccc(/N=c2\cc3[nH]c4ccccc4c3nn2-c2ccccc2)cc1
InChIInChI=1S/C22H16N4/c1-3-9-16(10-4-1)23-21-15-20-22(18-13-7-8-14-19(18)24-20)25-26(21)17-11-5-2-6-12-17/h1-15,24H/b23-21+
InChIKeyMTPOFOGGUJBDBG-XTQSDGFTSA-N
MW336.40 g/mol
LogP4.74
Rot. Bonds2

About N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine

N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine (PubChem CID 139224028) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine.

Molecular Properties

Compound NameN,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine
PubChem CID139224028
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC NameN,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine
SMILESc1ccc(/N=c2\cc3[nH]c4ccccc4c3nn2-c2ccccc2)cc1
InChIInChI=1S/C22H16N4/c1-3-9-16(10-4-1)23-21-15-20-22(18-13-7-8-14-19(18)24-20)25-26(21)17-11-5-2-6-12-17/h1-15,24H/b23-21+
InChIKeyMTPOFOGGUJBDBG-XTQSDGFTSA-N
XLogP4.74
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine?
The IUPAC name of N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine (CID 139224028) is N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine.
What is the SMILES notation for N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine?
The canonical SMILES for N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine is c1ccc(/N=c2\cc3[nH]c4ccccc4c3nn2-c2ccccc2)cc1.
What is the InChIKey of N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine?
The InChIKey is MTPOFOGGUJBDBG-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H16N4/c1-3-9-16(10-4-1)23-21-15-20-22(18-13-7-8-14-19(18)24-20)25-26(21)17-11-5-2-6-12-17/h1-15,24H/b23-21+.
What are the key properties of N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine?
N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine has a molecular weight of 336.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine is sourced from PubChem (CID 139224028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).