6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one

C21H26N4O2 — CID 69273338

IUPAC6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
SMILESCC1CC(C)CN(C(=O)[C@@H]2Cc3ccccc3N2c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C21H26N4O2/c1-14-10-15(2)13-24(12-14)21(27)18-11-16-6-4-5-7-17(16)25(18)19-8-9-20(26)23(3)22-19/h4-9,14-15,18H,10-13H2,1-3H3/t14?,15?,18-/m0/s1
InChIKeyHSDVBIVGWICUTD-JMLCCBQJSA-N
MW366.47 g/mol
LogP2.35
Rot. Bonds2

About 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one

6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one (PubChem CID 69273338) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
PubChem CID69273338
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
SMILESCC1CC(C)CN(C(=O)[C@@H]2Cc3ccccc3N2c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C21H26N4O2/c1-14-10-15(2)13-24(12-14)21(27)18-11-16-6-4-5-7-17(16)25(18)19-8-9-20(26)23(3)22-19/h4-9,14-15,18H,10-13H2,1-3H3/t14?,15?,18-/m0/s1
InChIKeyHSDVBIVGWICUTD-JMLCCBQJSA-N
XLogP2.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
CID 69273449
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone
CID 142690245
[(3S)-3-methylpiperidin-1-yl]-[(2S)-1-(1-methyl-6-sulfanylidenepyridazin-3-yl)-2,3-dihydroindol-2-yl]methanone
CID 87761635
3-[2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-1H-pyridazin-6-one
CID 69273701
(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone
CID 69272501
(3-methylpiperidin-1-yl)-(1-pyridazin-3-yl-2,3-dihydroindol-2-yl)methanone
CID 69275502
[(2S)-5-bromo-1-pyrimidin-2-yl-2,3-dihydroindol-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 69273589
2-methyl-6-[2-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-3H-indol-1-yl]pyridazin-3-one
CID 69272232
[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 11617471
(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
CID 69275495
[(2R)-5-bromo-1-pyridazin-3-yl-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 69273670
methyl (2S)-1-[1-(cyclobutylmethyl)-6-oxopyridazin-3-yl]-2,3-dihydroindole-2-carboxylate
CID 140528538

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one (CID 69273338) is 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one is CC1CC(C)CN(C(=O)[C@@H]2Cc3ccccc3N2c2ccc(=O)n(C)n2)C1.
What is the InChIKey of 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one?
The InChIKey is HSDVBIVGWICUTD-JMLCCBQJSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-10-15(2)13-24(12-14)21(27)18-11-16-6-4-5-7-17(16)25(18)19-8-9-20(26)23(3)22-19/h4-9,14-15,18H,10-13H2,1-3H3/t14?,15?,18-/m0/s1.
What are the key properties of 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one?
6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one has a molecular weight of 366.47 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 69273338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).