5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

C26H32N8O — CID 139536521

IUPAC5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-c3cnc4c(cnn4C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32N8O/c1-25(2)11-19(12-26(3,4)32-25)33(5)24-28-15-21(30-31-24)20-8-7-16(10-22(20)35)17-9-18-14-29-34(6)23(18)27-13-17/h7-10,13-15,19,32,35H,11-12H2,1-6H3
InChIKeyGCBJHNMZASCIMR-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.94
Rot. Bonds4

About 5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 139536521) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID139536521
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-c3cnc4c(cnn4C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32N8O/c1-25(2)11-19(12-26(3,4)32-25)33(5)24-28-15-21(30-31-24)20-8-7-16(10-22(20)35)17-9-18-14-29-34(6)23(18)27-13-17/h7-10,13-15,19,32,35H,11-12H2,1-6H3
InChIKeyGCBJHNMZASCIMR-UHFFFAOYSA-N
XLogP3.94
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 139536521) is 5-(1-methylpyrazolo[3,4-b]pyridin-5-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-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CN(c1ncc(-c2ccc(-c3cnc4c(cnn4C)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is GCBJHNMZASCIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-25(2)11-19(12-26(3,4)32-25)33(5)24-28-15-21(30-31-24)20-8-7-16(10-22(20)35)17-9-18-14-29-34(6)23(18)27-13-17/h7-10,13-15,19,32,35H,11-12H2,1-6H3.
What are the key properties of 5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 472.60 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 139536521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).