3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

C23H21F3N4O2 — CID 95810084

IUPAC3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)17-8-6-15(7-9-17)13-18-4-1-5-19(27-18)16-3-2-12-30(14-16)22(32)20-10-11-21(31)29-28-20/h1,4-11,16H,2-3,12-14H2,(H,29,31)/t16-/m1/s1
InChIKeyYPUZZOZBMVZQTN-MRXNPFEDSA-N
MW442.44 g/mol
LogP3.79
Rot. Bonds4

About 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 95810084) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID95810084
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)17-8-6-15(7-9-17)13-18-4-1-5-19(27-18)16-3-2-12-30(14-16)22(32)20-10-11-21(31)29-28-20/h1,4-11,16H,2-3,12-14H2,(H,29,31)/t16-/m1/s1
InChIKeyYPUZZOZBMVZQTN-MRXNPFEDSA-N
XLogP3.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one with MolForge

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Related Compounds

1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249351
2-pyridin-4-yl-1-[(3S)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95809801
(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110250008
5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95818341
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670
[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110151388
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
[3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110249808
2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810474
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 95810084) is 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1.
What is the InChIKey of 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is YPUZZOZBMVZQTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)17-8-6-15(7-9-17)13-18-4-1-5-19(27-18)16-3-2-12-30(14-16)22(32)20-10-11-21(31)29-28-20/h1,4-11,16H,2-3,12-14H2,(H,29,31)/t16-/m1/s1.
What are the key properties of 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 442.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 95810084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).