(5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one

C17H17F3N4O2 — CID 155284815

IUPAC(5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCC(=O)NC2)nn1
InChIInChI=1S/C17H17F3N4O2/c1-9-6-10(17(18,19)20)7-13(25)16(9)12-3-4-14(24-23-12)22-11-2-5-15(26)21-8-11/h3-4,6-7,11,25H,2,5,8H2,1H3,(H,21,26)(H,22,24)/t11-/m1/s1
InChIKeyBNOTUJSUOTUJNE-LLVKDONJSA-N
MW366.34 g/mol
LogP2.87
Rot. Bonds3

About (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one

(5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one (PubChem CID 155284815) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one
PubChem CID155284815
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name(5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCC(=O)NC2)nn1
InChIInChI=1S/C17H17F3N4O2/c1-9-6-10(17(18,19)20)7-13(25)16(9)12-3-4-14(24-23-12)22-11-2-5-15(26)21-8-11/h3-4,6-7,11,25H,2,5,8H2,1H3,(H,21,26)(H,22,24)/t11-/m1/s1
InChIKeyBNOTUJSUOTUJNE-LLVKDONJSA-N
XLogP2.87
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one?
The IUPAC name of (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one (CID 155284815) is (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one.
What is the SMILES notation for (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one?
The canonical SMILES for (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one is Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCC(=O)NC2)nn1.
What is the InChIKey of (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one?
The InChIKey is BNOTUJSUOTUJNE-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-9-6-10(17(18,19)20)7-13(25)16(9)12-3-4-14(24-23-12)22-11-2-5-15(26)21-8-11/h3-4,6-7,11,25H,2,5,8H2,1H3,(H,21,26)(H,22,24)/t11-/m1/s1.
What are the key properties of (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one?
(5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one has a molecular weight of 366.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]amino]piperidin-2-one is sourced from PubChem (CID 155284815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).