6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile

C19H19N5O — CID 133419110

IUPAC6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CC(CCN3CCCC3=O)c3ccccc32)nn1
InChIInChI=1S/C19H19N5O/c20-12-15-7-8-18(22-21-15)24-13-14(16-4-1-2-5-17(16)24)9-11-23-10-3-6-19(23)25/h1-2,4-5,7-8,14H,3,6,9-11,13H2
InChIKeyVRUIVKRSWFDOMI-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.60
Rot. Bonds4

About 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile

6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile (PubChem CID 133419110) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile
PubChem CID133419110
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CC(CCN3CCCC3=O)c3ccccc32)nn1
InChIInChI=1S/C19H19N5O/c20-12-15-7-8-18(22-21-15)24-13-14(16-4-1-2-5-17(16)24)9-11-23-10-3-6-19(23)25/h1-2,4-5,7-8,14H,3,6,9-11,13H2
InChIKeyVRUIVKRSWFDOMI-UHFFFAOYSA-N
XLogP2.60
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile (CID 133419110) is 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CC(CCN3CCCC3=O)c3ccccc32)nn1.
What is the InChIKey of 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile?
The InChIKey is VRUIVKRSWFDOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-12-15-7-8-18(22-21-15)24-13-14(16-4-1-2-5-17(16)24)9-11-23-10-3-6-19(23)25/h1-2,4-5,7-8,14H,3,6,9-11,13H2.
What are the key properties of 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile?
6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133419110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).