6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one

C17H23F3N4O2 — CID 126864126

IUPAC6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)n1
InChIInChI=1S/C17H23F3N4O2/c1-12-2-3-15(25)24(21-12)10-13-4-7-22(8-5-13)14-6-9-23(16(14)26)11-17(18,19)20/h2-3,13-14H,4-11H2,1H3
InChIKeyAIDUONNGVLWACW-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.43
Rot. Bonds4

About 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126864126) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126864126
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)n1
InChIInChI=1S/C17H23F3N4O2/c1-12-2-3-15(25)24(21-12)10-13-4-7-22(8-5-13)14-6-9-23(16(14)26)11-17(18,19)20/h2-3,13-14H,4-11H2,1H3
InChIKeyAIDUONNGVLWACW-UHFFFAOYSA-N
XLogP1.43
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126864126) is 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is AIDUONNGVLWACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-12-2-3-15(25)24(21-12)10-13-4-7-22(8-5-13)14-6-9-23(16(14)26)11-17(18,19)20/h2-3,13-14H,4-11H2,1H3.
What are the key properties of 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 372.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126864126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).