6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one

C20H26N4O2 — CID 24992851

IUPAC6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)ccc1=O
InChIInChI=1S/C20H26N4O2/c1-23-20(25)9-7-18(22-23)15-6-8-19(21-14-15)26-17-10-12-24(13-11-17)16-4-2-3-5-16/h6-9,14,16-17H,2-5,10-13H2,1H3
InChIKeyHTFPNFFVMNUPNX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds4

About 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one

6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one (PubChem CID 24992851) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one
PubChem CID24992851
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)ccc1=O
InChIInChI=1S/C20H26N4O2/c1-23-20(25)9-7-18(22-23)15-6-8-19(21-14-15)26-17-10-12-24(13-11-17)16-4-2-3-5-16/h6-9,14,16-17H,2-5,10-13H2,1H3
InChIKeyHTFPNFFVMNUPNX-UHFFFAOYSA-N
XLogP2.63
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one (CID 24992851) is 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one is Cn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)ccc1=O.
What is the InChIKey of 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one?
The InChIKey is HTFPNFFVMNUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-20(25)9-7-18(22-23)15-6-8-19(21-14-15)26-17-10-12-24(13-11-17)16-4-2-3-5-16/h6-9,14,16-17H,2-5,10-13H2,1H3.
What are the key properties of 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one?
6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one has a molecular weight of 354.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 24992851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).