5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one

C24H18N4O — CID 135961837

IUPAC5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C24H18N4O/c29-24-20(15-22(27-28-24)17-10-12-25-13-11-17)23-19(14-16-6-2-1-3-7-16)18-8-4-5-9-21(18)26-23/h1-13,15,26H,14H2,(H,28,29)
InChIKeyKNNURMDXAPNHAO-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.57
Rot. Bonds4

About 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one

5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 135961837) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID135961837
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C24H18N4O/c29-24-20(15-22(27-28-24)17-10-12-25-13-11-17)23-19(14-16-6-2-1-3-7-16)18-8-4-5-9-21(18)26-23/h1-13,15,26H,14H2,(H,28,29)
InChIKeyKNNURMDXAPNHAO-UHFFFAOYSA-N
XLogP4.57
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135687549
5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961896
5-[6-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961854
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
4-propyl-3-pyridin-4-yl-1H-quinolin-2-one
CID 142650148
3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one
CID 135961881
3-benzyl-2-chloro-1H-indole
CID 12605517
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride
CID 20527782
3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
3-benzyl-1H-indole-2-carboxamide
CID 70180298
2-(3-benzyl-1H-indol-2-yl)-4,6-dibromophenol
CID 142650100

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one (CID 135961837) is 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1Cc1ccccc1.
What is the InChIKey of 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is KNNURMDXAPNHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c29-24-20(15-22(27-28-24)17-10-12-25-13-11-17)23-19(14-16-6-2-1-3-7-16)18-8-4-5-9-21(18)26-23/h1-13,15,26H,14H2,(H,28,29).
What are the key properties of 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 378.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 135961837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).