4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol

C25H27FN6O — CID 153382664

IUPAC4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4cc(F)c(-c5ccncc5)cc4O)cnc32)CC(C)(C)N1
InChIInChI=1S/C25H27FN6O/c1-24(2)12-17(13-25(3,4)30-24)32-23-21(29-31-32)9-16(14-28-23)19-10-20(26)18(11-22(19)33)15-5-7-27-8-6-15/h5-11,14,17,30,33H,12-13H2,1-4H3
InChIKeyHJHUWOCJQCVBRJ-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.88
Rot. Bonds3

About 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol

4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol (PubChem CID 153382664) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol
PubChem CID153382664
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4cc(F)c(-c5ccncc5)cc4O)cnc32)CC(C)(C)N1
InChIInChI=1S/C25H27FN6O/c1-24(2)12-17(13-25(3,4)30-24)32-23-21(29-31-32)9-16(14-28-23)19-10-20(26)18(11-22(19)33)15-5-7-27-8-6-15/h5-11,14,17,30,33H,12-13H2,1-4H3
InChIKeyHJHUWOCJQCVBRJ-UHFFFAOYSA-N
XLogP4.88
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol?
The IUPAC name of 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol (CID 153382664) is 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol.
What is the SMILES notation for 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol?
The canonical SMILES for 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol is CC1(C)CC(n2nnc3cc(-c4cc(F)c(-c5ccncc5)cc4O)cnc32)CC(C)(C)N1.
What is the InChIKey of 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol?
The InChIKey is HJHUWOCJQCVBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-24(2)12-17(13-25(3,4)30-24)32-23-21(29-31-32)9-16(14-28-23)19-10-20(26)18(11-22(19)33)15-5-7-27-8-6-15/h5-11,14,17,30,33H,12-13H2,1-4H3.
What are the key properties of 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol?
4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol has a molecular weight of 446.53 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-pyridin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol is sourced from PubChem (CID 153382664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).