[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H23FN4O — CID 53004896

IUPAC[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)N1CCCC1
InChIInChI=1S/C20H23FN4O/c21-17-5-3-4-16(14-17)18-6-7-19(23-22-18)24-12-8-15(9-13-24)20(26)25-10-1-2-11-25/h3-7,14-15H,1-2,8-13H2
InChIKeyOQFRSLUIVAQPNU-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.12
Rot. Bonds3

About [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53004896) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53004896
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)N1CCCC1
InChIInChI=1S/C20H23FN4O/c21-17-5-3-4-16(14-17)18-6-7-19(23-22-18)24-12-8-15(9-13-24)20(26)25-10-1-2-11-25/h3-7,14-15H,1-2,8-13H2
InChIKeyOQFRSLUIVAQPNU-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 53004896) is [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)N1CCCC1.
What is the InChIKey of [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OQFRSLUIVAQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-17-5-3-4-16(14-17)18-6-7-19(23-22-18)24-12-8-15(9-13-24)20(26)25-10-1-2-11-25/h3-7,14-15H,1-2,8-13H2.
What are the key properties of [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 354.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53004896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).