3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one

C19H16BrN3O — CID 17272196

IUPAC3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1[nH]c2ccccc2c1C1CC(c2ccc(Br)cc2)=NNC1=O
InChIInChI=1S/C19H16BrN3O/c1-11-18(14-4-2-3-5-16(14)21-11)15-10-17(22-23-19(15)24)12-6-8-13(20)9-7-12/h2-9,15,21H,10H2,1H3,(H,23,24)
InChIKeyXHEAZQLUHKSXQE-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.25
Rot. Bonds2

About 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 17272196) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID17272196
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1[nH]c2ccccc2c1C1CC(c2ccc(Br)cc2)=NNC1=O
InChIInChI=1S/C19H16BrN3O/c1-11-18(14-4-2-3-5-16(14)21-11)15-10-17(22-23-19(15)24)12-6-8-13(20)9-7-12/h2-9,15,21H,10H2,1H3,(H,23,24)
InChIKeyXHEAZQLUHKSXQE-UHFFFAOYSA-N
XLogP4.25
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 17272196) is 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one is Cc1[nH]c2ccccc2c1C1CC(c2ccc(Br)cc2)=NNC1=O.
What is the InChIKey of 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XHEAZQLUHKSXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-11-18(14-4-2-3-5-16(14)21-11)15-10-17(22-23-19(15)24)12-6-8-13(20)9-7-12/h2-9,15,21H,10H2,1H3,(H,23,24).
What are the key properties of 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 382.26 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 17272196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).