2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone

C30H26F2N4O3 — CID 58073555

IUPAC2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C30H26F2N4O3/c31-24-5-1-21(2-6-24)20-35-13-15-36(16-14-35)30(38)27-11-4-23(19-33-27)28(37)17-22-3-12-29(34-18-22)39-26-9-7-25(32)8-10-26/h1-12,18-19H,13-17,20H2
InChIKeySINIYJXIVIJMOY-UHFFFAOYSA-N
MW528.56 g/mol
LogP4.93
Rot. Bonds8

About 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone

2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone (PubChem CID 58073555) has the molecular formula C30H26F2N4O3 and a molecular weight of 528.56 g/mol. Its IUPAC name is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone
PubChem CID58073555
Molecular FormulaC30H26F2N4O3
Molecular Weight528.56 g/mol
Exact Mass528.20
IUPAC Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C30H26F2N4O3/c31-24-5-1-21(2-6-24)20-35-13-15-36(16-14-35)30(38)27-11-4-23(19-33-27)28(37)17-22-3-12-29(34-18-22)39-26-9-7-25(32)8-10-26/h1-12,18-19H,13-17,20H2
InChIKeySINIYJXIVIJMOY-UHFFFAOYSA-N
XLogP4.93
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.56
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

7-fluoro-3-[4-[4-(6-methoxypyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118507411
example 31 [WO2018183145]
CID 135349311
5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 46883301
AMPK activator 14
CID 56652377
N-(1-(4-cyanobenzyl)-3,3-difluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 56652379
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710344
6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710384
N-(1-(4-aminobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710436

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone (CID 58073555) is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone is O=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone?
The InChIKey is SINIYJXIVIJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N4O3/c31-24-5-1-21(2-6-24)20-35-13-15-36(16-14-35)30(38)27-11-4-23(19-33-27)28(37)17-22-3-12-29(34-18-22)39-26-9-7-25(32)8-10-26/h1-12,18-19H,13-17,20H2.
What are the key properties of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone?
2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone has a molecular weight of 528.56 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 58073555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).