6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one

C17H19N3O2 — CID 42162075

IUPAC6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2c3ccccc3C[C@H]2C)ccc1=O
InChIInChI=1S/C17H19N3O2/c1-3-10-19-16(21)9-8-14(18-19)17(22)20-12(2)11-13-6-4-5-7-15(13)20/h4-9,12H,3,10-11H2,1-2H3/t12-/m1/s1
InChIKeyTUVXIRVNIBIGHZ-GFCCVEGCSA-N
MW297.36 g/mol
LogP2.24
Rot. Bonds3

About 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one

6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 42162075) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID42162075
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2c3ccccc3C[C@H]2C)ccc1=O
InChIInChI=1S/C17H19N3O2/c1-3-10-19-16(21)9-8-14(18-19)17(22)20-12(2)11-13-6-4-5-7-15(13)20/h4-9,12H,3,10-11H2,1-2H3/t12-/m1/s1
InChIKeyTUVXIRVNIBIGHZ-GFCCVEGCSA-N
XLogP2.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide
CID 95067890
3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide
CID 95067862
3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(4-methylphenyl)propanamide
CID 95067920
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
N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089781
N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide
CID 95067825
N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089844
N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide
CID 53066231
N-(3-methylbutyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089810
N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089852
N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089811
N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide
CID 53121681

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one (CID 42162075) is 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2c3ccccc3C[C@H]2C)ccc1=O.
What is the InChIKey of 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is TUVXIRVNIBIGHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-10-19-16(21)9-8-14(18-19)17(22)20-12(2)11-13-6-4-5-7-15(13)20/h4-9,12H,3,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one?
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one has a molecular weight of 297.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 42162075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).