5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one

C18H20N4O2 — CID 91909570

IUPAC5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(C(=O)N3CCc4ccccc43)C2)cc1=O
InChIInChI=1S/C18H20N4O2/c1-20-17(23)10-15(11-19-20)21-8-6-14(12-21)18(24)22-9-7-13-4-2-3-5-16(13)22/h2-5,10-11,14H,6-9,12H2,1H3
InChIKeyNOGZORLXDSNZLB-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.20
Rot. Bonds2

About 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one

5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 91909570) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
PubChem CID91909570
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(C(=O)N3CCc4ccccc43)C2)cc1=O
InChIInChI=1S/C18H20N4O2/c1-20-17(23)10-15(11-19-20)21-8-6-14(12-21)18(24)22-9-7-13-4-2-3-5-16(13)22/h2-5,10-11,14H,6-9,12H2,1H3
InChIKeyNOGZORLXDSNZLB-UHFFFAOYSA-N
XLogP1.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one (CID 91909570) is 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCC(C(=O)N3CCc4ccccc43)C2)cc1=O.
What is the InChIKey of 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is NOGZORLXDSNZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-20-17(23)10-15(11-19-20)21-8-6-14(12-21)18(24)22-9-7-13-4-2-3-5-16(13)22/h2-5,10-11,14H,6-9,12H2,1H3.
What are the key properties of 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one?
5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 324.38 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 91909570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).