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

C19H18N4O2S — CID 16676548

IUPAC4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C19H18N4O2S/c1-12-9-13-5-2-3-6-16(13)23(12)18(24)11-22-19(25)14(20)10-15(21-22)17-7-4-8-26-17/h2-8,10,12H,9,11,20H2,1H3
InChIKeyYTLTXOQEDTXRKX-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.53
Rot. Bonds3

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

4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16676548) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID16676548
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C19H18N4O2S/c1-12-9-13-5-2-3-6-16(13)23(12)18(24)11-22-19(25)14(20)10-15(21-22)17-7-4-8-26-17/h2-8,10,12H,9,11,20H2,1H3
InChIKeyYTLTXOQEDTXRKX-UHFFFAOYSA-N
XLogP2.53
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.53
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-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (CID 16676548) is 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is CC1Cc2ccccc2N1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is YTLTXOQEDTXRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-9-13-5-2-3-6-16(13)23(12)18(24)11-22-19(25)14(20)10-15(21-22)17-7-4-8-26-17/h2-8,10,12H,9,11,20H2,1H3.
What are the key properties of 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 366.45 g/mol, XLogP of 2.53, 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-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16676548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).