6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one

C21H21N3O3 — CID 42111137

IUPAC6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)CCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C21H21N3O3/c1-15-14-16-6-2-3-7-18(16)24(15)21(26)9-4-12-23-20(25)11-10-17(22-23)19-8-5-13-27-19/h2-3,5-8,10-11,13,15H,4,9,12,14H2,1H3/t15-/m0/s1
InChIKeyZLVAVJUNSNUJRH-HNNXBMFYSA-N
MW363.42 g/mol
LogP3.26
Rot. Bonds5

About 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one

6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one (PubChem CID 42111137) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one
PubChem CID42111137
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)CCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C21H21N3O3/c1-15-14-16-6-2-3-7-18(16)24(15)21(26)9-4-12-23-20(25)11-10-17(22-23)19-8-5-13-27-19/h2-3,5-8,10-11,13,15H,4,9,12,14H2,1H3/t15-/m0/s1
InChIKeyZLVAVJUNSNUJRH-HNNXBMFYSA-N
XLogP3.26
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 25280934
6-(furan-2-yl)-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
CID 121075997
2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 30850541
6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051181
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one
CID 42162075
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]pyridazin-3-one
CID 95067860
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 7330983
3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide
CID 95067862
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 24790940
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one (CID 42111137) is 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one is C[C@H]1Cc2ccccc2N1C(=O)CCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one?
The InChIKey is ZLVAVJUNSNUJRH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-14-16-6-2-3-7-18(16)24(15)21(26)9-4-12-23-20(25)11-10-17(22-23)19-8-5-13-27-19/h2-3,5-8,10-11,13,15H,4,9,12,14H2,1H3/t15-/m0/s1.
What are the key properties of 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one?
6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one has a molecular weight of 363.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one is sourced from PubChem (CID 42111137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).