5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one

C25H28F3N5O2 — CID 136626072

IUPAC5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1(C)CC(Nc2ccc(-c3ccc(-c4c[nH]c(=O)c(C(F)(F)F)c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C25H28F3N5O2/c1-23(2)11-16(12-24(3,4)33-23)30-21-8-7-19(31-32-21)17-6-5-14(10-20(17)34)15-9-18(25(26,27)28)22(35)29-13-15/h5-10,13,16,33-34H,11-12H2,1-4H3,(H,29,35)(H,30,32)
InChIKeyCFDGDEWQKNMMCY-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.94
Rot. Bonds4

About 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one

5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 136626072) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID136626072
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Name5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1(C)CC(Nc2ccc(-c3ccc(-c4c[nH]c(=O)c(C(F)(F)F)c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C25H28F3N5O2/c1-23(2)11-16(12-24(3,4)33-23)30-21-8-7-19(31-32-21)17-6-5-14(10-20(17)34)15-9-18(25(26,27)28)22(35)29-13-15/h5-10,13,16,33-34H,11-12H2,1-4H3,(H,29,35)(H,30,32)
InChIKeyCFDGDEWQKNMMCY-UHFFFAOYSA-N
XLogP4.94
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 136626072) is 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one is CC1(C)CC(Nc2ccc(-c3ccc(-c4c[nH]c(=O)c(C(F)(F)F)c4)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is CFDGDEWQKNMMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c1-23(2)11-16(12-24(3,4)33-23)30-21-8-7-19(31-32-21)17-6-5-14(10-20(17)34)15-9-18(25(26,27)28)22(35)29-13-15/h5-10,13,16,33-34H,11-12H2,1-4H3,(H,29,35)(H,30,32).
What are the key properties of 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 487.53 g/mol, XLogP of 4.94, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 136626072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).