2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C17H18N4O — CID 53006015

IUPAC2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCc2ccccc21
InChIInChI=1S/C17H18N4O/c22-17(21-12-9-13-5-1-2-6-15(13)21)14-7-8-16(19-18-14)20-10-3-4-11-20/h1-2,5-8H,3-4,9-12H2
InChIKeyGZLIJRGFRPPJEL-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.28
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 53006015) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID53006015
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCc2ccccc21
InChIInChI=1S/C17H18N4O/c22-17(21-12-9-13-5-1-2-6-15(13)21)14-7-8-16(19-18-14)20-10-3-4-11-20/h1-2,5-8H,3-4,9-12H2
InChIKeyGZLIJRGFRPPJEL-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 53006015) is 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCCC2)nn1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is GZLIJRGFRPPJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17(21-12-9-13-5-1-2-6-15(13)21)14-7-8-16(19-18-14)20-10-3-4-11-20/h1-2,5-8H,3-4,9-12H2.
What are the key properties of 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 294.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 53006015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).