2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

C19H17N3O2S — CID 47088436

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)s1
InChIInChI=1S/C19H17N3O2S/c1-13-6-8-17(25-13)15-7-9-18(23)22(20-15)12-19(24)21-11-10-14-4-2-3-5-16(14)21/h2-9H,10-12H2,1H3
InChIKeyHQGYRZJQRQYFNL-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.87
Rot. Bonds3

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (PubChem CID 47088436) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
PubChem CID47088436
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)s1
InChIInChI=1S/C19H17N3O2S/c1-13-6-8-17(25-13)15-7-9-18(23)22(20-15)12-19(24)21-11-10-14-4-2-3-5-16(14)21/h2-9H,10-12H2,1H3
InChIKeyHQGYRZJQRQYFNL-UHFFFAOYSA-N
XLogP2.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659550
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one
CID 7666246
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 71910003
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 9439842
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286772
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 90517683
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799108
1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone
CID 60585092
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734786
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (CID 47088436) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)s1.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The InChIKey is HQGYRZJQRQYFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-6-8-17(25-13)15-7-9-18(23)22(20-15)12-19(24)21-11-10-14-4-2-3-5-16(14)21/h2-9H,10-12H2,1H3.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one has a molecular weight of 351.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is sourced from PubChem (CID 47088436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).