[3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone

C23H22FN3O2 — CID 46387102

IUPAC[3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)nn3)c2)CC1
InChIInChI=1S/C23H22FN3O2/c1-16-11-13-27(14-12-16)23(28)18-4-2-3-17(15-18)21-9-10-22(26-25-21)29-20-7-5-19(24)6-8-20/h2-10,15-16H,11-14H2,1H3
InChIKeyCLUIUBIMLOEGSC-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.95
Rot. Bonds4

About [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone

[3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 46387102) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID46387102
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name[3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)nn3)c2)CC1
InChIInChI=1S/C23H22FN3O2/c1-16-11-13-27(14-12-16)23(28)18-4-2-3-17(15-18)21-9-10-22(26-25-21)29-20-7-5-19(24)6-8-20/h2-10,15-16H,11-14H2,1H3
InChIKeyCLUIUBIMLOEGSC-UHFFFAOYSA-N
XLogP4.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile
CID 134803644
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803358
2-methoxy-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803210
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800906
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide
CID 134801985
2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800868
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
CID 46032979
(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
CID 134803605
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923

Frequently Asked Questions

What is the IUPAC name of [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 46387102) is [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)nn3)c2)CC1.
What is the InChIKey of [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CLUIUBIMLOEGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-16-11-13-27(14-12-16)23(28)18-4-2-3-17(15-18)21-9-10-22(26-25-21)29-20-7-5-19(24)6-8-20/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 391.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46387102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).