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

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Related Compounds

7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one
CID 137239094
3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid
CID 136691479
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CID 54752182
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993
9H-carbazole
CID 66668984
N-(4-fluorophenyl)-2,4-diphenylphthalazin-1-imine;hydrochloride
CID 134116657
2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
CID 145243713
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 135599991
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene
CID 156902718
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811

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).