3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one

C23H16N4O2 — CID 135961881

IUPAC3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2cc(-c3[nH]c4ccccc4c3-c3ccccc3)c(=O)[nH]n2)c[nH]1
InChIInChI=1S/C23H16N4O2/c28-20-11-10-15(13-24-20)19-12-17(23(29)27-26-19)22-21(14-6-2-1-3-7-14)16-8-4-5-9-18(16)25-22/h1-13,25H,(H,24,28)(H,27,29)
InChIKeyOQIRBDKFJIZRBM-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.94
Rot. Bonds3

About 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one

3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one (PubChem CID 135961881) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one
PubChem CID135961881
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2cc(-c3[nH]c4ccccc4c3-c3ccccc3)c(=O)[nH]n2)c[nH]1
InChIInChI=1S/C23H16N4O2/c28-20-11-10-15(13-24-20)19-12-17(23(29)27-26-19)22-21(14-6-2-1-3-7-14)16-8-4-5-9-18(16)25-22/h1-13,25H,(H,24,28)(H,27,29)
InChIKeyOQIRBDKFJIZRBM-UHFFFAOYSA-N
XLogP3.94
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one with MolForge

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Related Compounds

3-(3-phenyl-1H-indol-2-yl)-1H-pyridin-2-one
CID 59508067
5-[6-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961854
5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961837
5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961896
6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione
CID 102126486
5-phenyl-1H-pyridin-2-one
CID 10057963
5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135687549
5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one
CID 162750794
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
CID 629515
4-amino-3-phenyl-1H-quinolin-2-one
CID 2784967
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one (CID 135961881) is 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one is O=c1ccc(-c2cc(-c3[nH]c4ccccc4c3-c3ccccc3)c(=O)[nH]n2)c[nH]1.
What is the InChIKey of 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one?
The InChIKey is OQIRBDKFJIZRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-20-11-10-15(13-24-20)19-12-17(23(29)27-26-19)22-21(14-6-2-1-3-7-14)16-8-4-5-9-18(16)25-22/h1-13,25H,(H,24,28)(H,27,29).
What are the key properties of 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one?
3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one has a molecular weight of 380.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 135961881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).