2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol

C25H32FN5O2 — CID 137464869

IUPAC2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol
SMILESCc1cnc(-c2ccc(-c3ccc(N(CCF)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)o1
InChIInChI=1S/C25H32FN5O2/c1-16-15-27-23(33-16)17-6-7-19(21(32)12-17)20-8-9-22(29-28-20)31(11-10-26)18-13-24(2,3)30-25(4,5)14-18/h6-9,12,15,18,30,32H,10-11,13-14H2,1-5H3
InChIKeyQSJSHDQIOJSICH-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.90
Rot. Bonds6

About 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol

2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol (PubChem CID 137464869) has the molecular formula C25H32FN5O2 and a molecular weight of 453.56 g/mol. Its IUPAC name is 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol
PubChem CID137464869
Molecular FormulaC25H32FN5O2
Molecular Weight453.56 g/mol
Exact Mass453.25
IUPAC Name2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol
SMILESCc1cnc(-c2ccc(-c3ccc(N(CCF)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)o1
InChIInChI=1S/C25H32FN5O2/c1-16-15-27-23(33-16)17-6-7-19(21(32)12-17)20-8-9-22(29-28-20)31(11-10-26)18-13-24(2,3)30-25(4,5)14-18/h6-9,12,15,18,30,32H,10-11,13-14H2,1-5H3
InChIKeyQSJSHDQIOJSICH-UHFFFAOYSA-N
XLogP4.90
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 175017093
5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(3,3,3-trifluoropropyl)amino]pyridazin-3-yl]phenol
CID 137464849
5-(1-methylimidazol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 153483461
5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one
CID 136633798
2-[6-[7-azabicyclo[4.2.1]nonan-4-yl(2-fluoroethyl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155091784
2-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-(2-fluoroethyl)amino]pyridazin-3-yl]-3-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 167054294
3-amino-1-[4-[3-fluoropropyl-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]amino]-2,2,3,3-tetramethylpiperidin-1-yl]propan-1-one
CID 175538376
5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol
CID 170263010
2-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-(2-fluoroethyl)amino]pyridazin-3-yl]-4-fluoro-5-(6-methoxypyridazin-4-yl)phenol
CID 154988088
7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol
CID 136607596
N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 156845394
2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155025619

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol?
The IUPAC name of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol (CID 137464869) is 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol is Cc1cnc(-c2ccc(-c3ccc(N(CCF)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)o1.
What is the InChIKey of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol?
The InChIKey is QSJSHDQIOJSICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O2/c1-16-15-27-23(33-16)17-6-7-19(21(32)12-17)20-8-9-22(29-28-20)31(11-10-26)18-13-24(2,3)30-25(4,5)14-18/h6-9,12,15,18,30,32H,10-11,13-14H2,1-5H3.
What are the key properties of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol?
2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol has a molecular weight of 453.56 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 137464869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).