2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one

C17H17F3N4O3 — CID 71798704

IUPAC2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)ccc1=O
InChIInChI=1S/C17H17F3N4O3/c1-23-15(25)5-3-13(22-23)16(26)24-8-6-12(7-9-24)27-14-4-2-11(10-21-14)17(18,19)20/h2-5,10,12H,6-9H2,1H3
InChIKeyGOXIIYGRAVUNQH-UHFFFAOYSA-N
MW382.34 g/mol
LogP1.88
Rot. Bonds3

About 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 71798704) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one
PubChem CID71798704
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)ccc1=O
InChIInChI=1S/C17H17F3N4O3/c1-23-15(25)5-3-13(22-23)16(26)24-8-6-12(7-9-24)27-14-4-2-11(10-21-14)17(18,19)20/h2-5,10,12H,6-9H2,1H3
InChIKeyGOXIIYGRAVUNQH-UHFFFAOYSA-N
XLogP1.88
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one (CID 71798704) is 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)ccc1=O.
What is the InChIKey of 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is GOXIIYGRAVUNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-23-15(25)5-3-13(22-23)16(26)24-8-6-12(7-9-24)27-14-4-2-11(10-21-14)17(18,19)20/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 382.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 71798704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).