2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one

C19H17N3O2S — CID 46965227

IUPAC2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C19H17N3O2S/c1-13-11-14-5-2-3-6-16(14)22(13)19(24)12-21-18(23)9-8-15(20-21)17-7-4-10-25-17/h2-10,13H,11-12H2,1H3
InChIKeyOMASDAROOVOFHG-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.95
Rot. Bonds3

About 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one

2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 46965227) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID46965227
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C19H17N3O2S/c1-13-11-14-5-2-3-6-16(14)22(13)19(24)12-21-18(23)9-8-15(20-21)17-7-4-10-25-17/h2-10,13H,11-12H2,1H3
InChIKeyOMASDAROOVOFHG-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (CID 46965227) is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is CC1Cc2ccccc2N1C(=O)Cn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is OMASDAROOVOFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-11-14-5-2-3-6-16(14)22(13)19(24)12-21-18(23)9-8-15(20-21)17-7-4-10-25-17/h2-10,13H,11-12H2,1H3.
What are the key properties of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 351.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 46965227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).