2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone

C22H22N4O2 — CID 109122223

IUPAC2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
SMILESCOc1ccccc1CCNc1ccc(C(=O)N2CCc3ccccc32)nn1
InChIInChI=1S/C22H22N4O2/c1-28-20-9-5-3-7-17(20)12-14-23-21-11-10-18(24-25-21)22(27)26-15-13-16-6-2-4-8-19(16)26/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyBAUOWRCFHMOPDZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.34
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone

2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone (PubChem CID 109122223) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
PubChem CID109122223
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
SMILESCOc1ccccc1CCNc1ccc(C(=O)N2CCc3ccccc32)nn1
InChIInChI=1S/C22H22N4O2/c1-28-20-9-5-3-7-17(20)12-14-23-21-11-10-18(24-25-21)22(27)26-15-13-16-6-2-4-8-19(16)26/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyBAUOWRCFHMOPDZ-UHFFFAOYSA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192557
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284671
4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116947
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
3,4-dihydro-2H-quinolin-1-yl-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]methanone
CID 109115226
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62172479
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118280
3,4-dihydro-2H-quinolin-1-yl-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]methanone
CID 109115568
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109370230
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985370
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000642

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone (CID 109122223) is 2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone is COc1ccccc1CCNc1ccc(C(=O)N2CCc3ccccc32)nn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone?
The InChIKey is BAUOWRCFHMOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-20-9-5-3-7-17(20)12-14-23-21-11-10-18(24-25-21)22(27)26-15-13-16-6-2-4-8-19(16)26/h2-11H,12-15H2,1H3,(H,23,25).
What are the key properties of 2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone?
2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.34, 6 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-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone is sourced from PubChem (CID 109122223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).