6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one

C20H24N4O2 — CID 69273449

IUPAC6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
SMILESCCC1CCN(C(=O)C2Cc3ccccc3N2c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C20H24N4O2/c1-3-14-10-11-23(13-14)20(26)17-12-15-6-4-5-7-16(15)24(17)18-8-9-19(25)22(2)21-18/h4-9,14,17H,3,10-13H2,1-2H3
InChIKeyOTRXQVDFUPBSFY-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.10
Rot. Bonds3

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

6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one (PubChem CID 69273449) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
PubChem CID69273449
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
SMILESCCC1CCN(C(=O)C2Cc3ccccc3N2c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C20H24N4O2/c1-3-14-10-11-23(13-14)20(26)17-12-15-6-4-5-7-16(15)24(17)18-8-9-19(25)22(2)21-18/h4-9,14,17H,3,10-13H2,1-2H3
InChIKeyOTRXQVDFUPBSFY-UHFFFAOYSA-N
XLogP2.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one (CID 69273449) is 6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one is CCC1CCN(C(=O)C2Cc3ccccc3N2c2ccc(=O)n(C)n2)C1.
What is the InChIKey of 6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one?
The InChIKey is OTRXQVDFUPBSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-14-10-11-23(13-14)20(26)17-12-15-6-4-5-7-16(15)24(17)18-8-9-19(25)22(2)21-18/h4-9,14,17H,3,10-13H2,1-2H3.
What are the key properties of 6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one?
6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one has a molecular weight of 352.44 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 69273449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).