4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one

C20H25FN4O2 — CID 118350566

IUPAC4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one
SMILESCc1cc(F)cc(-n2ncc(N3CCNCC3)c(OC3CCCC3)c2=O)c1
InChIInChI=1S/C20H25FN4O2/c1-14-10-15(21)12-16(11-14)25-20(26)19(27-17-4-2-3-5-17)18(13-23-25)24-8-6-22-7-9-24/h10-13,17,22H,2-9H2,1H3
InChIKeyBAAARMPLUYHHGI-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.41
Rot. Bonds4

About 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one

4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one (PubChem CID 118350566) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one
PubChem CID118350566
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one
SMILESCc1cc(F)cc(-n2ncc(N3CCNCC3)c(OC3CCCC3)c2=O)c1
InChIInChI=1S/C20H25FN4O2/c1-14-10-15(21)12-16(11-14)25-20(26)19(27-17-4-2-3-5-17)18(13-23-25)24-8-6-22-7-9-24/h10-13,17,22H,2-9H2,1H3
InChIKeyBAAARMPLUYHHGI-UHFFFAOYSA-N
XLogP2.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one (CID 118350566) is 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one is Cc1cc(F)cc(-n2ncc(N3CCNCC3)c(OC3CCCC3)c2=O)c1.
What is the InChIKey of 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is BAAARMPLUYHHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-14-10-15(21)12-16(11-14)25-20(26)19(27-17-4-2-3-5-17)18(13-23-25)24-8-6-22-7-9-24/h10-13,17,22H,2-9H2,1H3.
What are the key properties of 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one?
4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 372.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 118350566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).