3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone

C19H21N3O3 — CID 91627710

IUPAC3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2CO1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C19H21N3O3/c23-19(17-11-14-5-1-2-6-15(14)13-24-17)22-10-4-7-16(12-22)25-18-8-3-9-20-21-18/h1-3,5-6,8-9,16-17H,4,7,10-13H2
InChIKeyPQNHGOPNVIAAPU-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.99
Rot. Bonds3

About 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone

3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone (PubChem CID 91627710) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
PubChem CID91627710
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2CO1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C19H21N3O3/c23-19(17-11-14-5-1-2-6-15(14)13-24-17)22-10-4-7-16(12-22)25-18-8-3-9-20-21-18/h1-3,5-6,8-9,16-17H,4,7,10-13H2
InChIKeyPQNHGOPNVIAAPU-UHFFFAOYSA-N
XLogP1.99
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone (CID 91627710) is 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone is O=C(C1Cc2ccccc2CO1)N1CCCC(Oc2cccnn2)C1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is PQNHGOPNVIAAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(17-11-14-5-1-2-6-15(14)13-24-17)22-10-4-7-16(12-22)25-18-8-3-9-20-21-18/h1-3,5-6,8-9,16-17H,4,7,10-13H2.
What are the key properties of 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 339.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 91627710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).