2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone

C21H20N4O2 — CID 109127391

IUPAC2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)N2CCc3ccccc32)nn1
InChIInChI=1S/C21H20N4O2/c1-14-7-9-19(27-2)17(13-14)22-20-10-8-16(23-24-20)21(26)25-12-11-15-5-3-4-6-18(15)25/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyARFACILCWUQZPF-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.74
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone

2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone (PubChem CID 109127391) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
PubChem CID109127391
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)N2CCc3ccccc32)nn1
InChIInChI=1S/C21H20N4O2/c1-14-7-9-19(27-2)17(13-14)22-20-10-8-16(23-24-20)21(26)25-12-11-15-5-3-4-6-18(15)25/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyARFACILCWUQZPF-UHFFFAOYSA-N
XLogP3.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109127494
2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
CID 109122223
2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
CID 109197766
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 109057107
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118280
6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112865076
3,4-dihydro-2H-quinolin-1-yl-[5-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109242568
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone (CID 109127391) is 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone is COc1ccc(C)cc1Nc1ccc(C(=O)N2CCc3ccccc32)nn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone?
The InChIKey is ARFACILCWUQZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-7-9-19(27-2)17(13-14)22-20-10-8-16(23-24-20)21(26)25-12-11-15-5-3-4-6-18(15)25/h3-10,13H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone?
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone has a molecular weight of 360.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109127391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).