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

C18H16N4O2S — CID 16676547

IUPAC4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESNc1cc(-c2cccs2)nn(CC(=O)N2CCc3ccccc32)c1=O
InChIInChI=1S/C18H16N4O2S/c19-13-10-14(16-6-3-9-25-16)20-22(18(13)24)11-17(23)21-8-7-12-4-1-2-5-15(12)21/h1-6,9-10H,7-8,11,19H2
InChIKeyKBSVFXBMZKMGMW-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.14
Rot. Bonds3

About 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one

4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16676547) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID16676547
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESNc1cc(-c2cccs2)nn(CC(=O)N2CCc3ccccc32)c1=O
InChIInChI=1S/C18H16N4O2S/c19-13-10-14(16-6-3-9-25-16)20-22(18(13)24)11-17(23)21-8-7-12-4-1-2-5-15(12)21/h1-6,9-10H,7-8,11,19H2
InChIKeyKBSVFXBMZKMGMW-UHFFFAOYSA-N
XLogP2.14
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (CID 16676547) is 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is Nc1cc(-c2cccs2)nn(CC(=O)N2CCc3ccccc32)c1=O.
What is the InChIKey of 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is KBSVFXBMZKMGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c19-13-10-14(16-6-3-9-25-16)20-22(18(13)24)11-17(23)21-8-7-12-4-1-2-5-15(12)21/h1-6,9-10H,7-8,11,19H2.
What are the key properties of 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 352.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16676547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).