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

C23H30FN7O — CID 139536524

IUPAC5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-c3cn(C)nc3F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H30FN7O/c1-22(2)10-15(11-23(3,4)29-22)31(6)21-25-12-18(26-27-21)16-8-7-14(9-19(16)32)17-13-30(5)28-20(17)24/h7-9,12-13,15,29,32H,10-11H2,1-6H3
InChIKeyCVYMVJNLDCIBJV-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.53
Rot. Bonds4

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

5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 139536524) has the molecular formula C23H30FN7O and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID139536524
Molecular FormulaC23H30FN7O
Molecular Weight439.54 g/mol
Exact Mass439.25
IUPAC Name5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-c3cn(C)nc3F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H30FN7O/c1-22(2)10-15(11-23(3,4)29-22)31(6)21-25-12-18(26-27-21)16-8-7-14(9-19(16)32)17-13-30(5)28-20(17)24/h7-9,12-13,15,29,32H,10-11H2,1-6H3
InChIKeyCVYMVJNLDCIBJV-UHFFFAOYSA-N
XLogP3.53
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 139536524) is 5-(3-fluoro-1-methylpyrazol-4-yl)-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-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CN(c1ncc(-c2ccc(-c3cn(C)nc3F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is CVYMVJNLDCIBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN7O/c1-22(2)10-15(11-23(3,4)29-22)31(6)21-25-12-18(26-27-21)16-8-7-14(9-19(16)32)17-13-30(5)28-20(17)24/h7-9,12-13,15,29,32H,10-11H2,1-6H3.
What are the key properties of 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 439.54 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-1-methylpyrazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 139536524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).