5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

C24H29FN6O — CID 139536867

IUPAC5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-c3cc(F)ccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29FN6O/c1-23(2)12-17(13-24(3,4)30-23)31(5)22-27-14-20(28-29-22)18-7-6-15(10-21(18)32)19-11-16(25)8-9-26-19/h6-11,14,17,30,32H,12-13H2,1-5H3
InChIKeyOSBPKDWGOJGKOF-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.19
Rot. Bonds4

About 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 139536867) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID139536867
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-c3cc(F)ccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29FN6O/c1-23(2)12-17(13-24(3,4)30-23)31(5)22-27-14-20(28-29-22)18-7-6-15(10-21(18)32)19-11-16(25)8-9-26-19/h6-11,14,17,30,32H,12-13H2,1-5H3
InChIKeyOSBPKDWGOJGKOF-UHFFFAOYSA-N
XLogP4.19
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 139536867) is 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CN(c1ncc(-c2ccc(-c3cc(F)ccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is OSBPKDWGOJGKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-23(2)12-17(13-24(3,4)30-23)31(5)22-27-14-20(28-29-22)18-7-6-15(10-21(18)32)19-11-16(25)8-9-26-19/h6-11,14,17,30,32H,12-13H2,1-5H3.
What are the key properties of 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 436.54 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-pyridinyl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 139536867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).