[6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone

C19H22N4O — CID 46321675

IUPAC[6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(N2CCCCCC2)nn1)N1CCc2ccccc21
InChIInChI=1S/C19H22N4O/c24-19(23-14-11-15-7-3-4-8-17(15)23)16-9-10-18(21-20-16)22-12-5-1-2-6-13-22/h3-4,7-10H,1-2,5-6,11-14H2
InChIKeyVVUDYUMZZHQUQK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.06
Rot. Bonds2

About [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone

[6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 46321675) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID46321675
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(N2CCCCCC2)nn1)N1CCc2ccccc21
InChIInChI=1S/C19H22N4O/c24-19(23-14-11-15-7-3-4-8-17(15)23)16-9-10-18(21-20-16)22-12-5-1-2-6-13-22/h3-4,7-10H,1-2,5-6,11-14H2
InChIKeyVVUDYUMZZHQUQK-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone (CID 46321675) is [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(N2CCCCCC2)nn1)N1CCc2ccccc21.
What is the InChIKey of [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is VVUDYUMZZHQUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(23-14-11-15-7-3-4-8-17(15)23)16-9-10-18(21-20-16)22-12-5-1-2-6-13-22/h3-4,7-10H,1-2,5-6,11-14H2.
What are the key properties of [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
[6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azepan-1-yl)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 46321675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).