2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol

C26H32N8O2 — CID 153382826

IUPAC2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol
SMILESCCc1nc2c(cc1-c1ccc(-c3ncnc(OC)n3)cc1O)nnn2C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32N8O2/c1-7-19-18(17-9-8-15(10-21(17)35)22-27-14-28-24(30-22)36-6)11-20-23(29-19)34(33-31-20)16-12-25(2,3)32-26(4,5)13-16/h8-11,14,16,32,35H,7,12-13H2,1-6H3
InChIKeyCVOAWZXBXZFYDU-UHFFFAOYSA-N
MW488.60 g/mol
LogP4.10
Rot. Bonds5

About 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol

2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol (PubChem CID 153382826) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol
PubChem CID153382826
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol
SMILESCCc1nc2c(cc1-c1ccc(-c3ncnc(OC)n3)cc1O)nnn2C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32N8O2/c1-7-19-18(17-9-8-15(10-21(17)35)22-27-14-28-24(30-22)36-6)11-20-23(29-19)34(33-31-20)16-12-25(2,3)32-26(4,5)13-16/h8-11,14,16,32,35H,7,12-13H2,1-6H3
InChIKeyCVOAWZXBXZFYDU-UHFFFAOYSA-N
XLogP4.10
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol (CID 153382826) is 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol is CCc1nc2c(cc1-c1ccc(-c3ncnc(OC)n3)cc1O)nnn2C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol?
The InChIKey is CVOAWZXBXZFYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2/c1-7-19-18(17-9-8-15(10-21(17)35)22-27-14-28-24(30-22)36-6)11-20-23(29-19)34(33-31-20)16-12-25(2,3)32-26(4,5)13-16/h8-11,14,16,32,35H,7,12-13H2,1-6H3.
What are the key properties of 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol?
2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol has a molecular weight of 488.60 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(4-methoxy-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 153382826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).