5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

C26H28N8O — CID 156699077

IUPAC5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccn6cncc6c5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C26H28N8O/c1-25(2)12-19(13-26(3,4)31-25)34-24-22(29-32-34)11-21(28-30-24)20-6-5-16(10-23(20)35)17-7-8-33-15-27-14-18(33)9-17/h5-11,14-15,19,31,35H,12-13H2,1-4H3
InChIKeyCXMDEHRGUNSXHR-UHFFFAOYSA-N
MW468.57 g/mol
LogP4.39
Rot. Bonds3

About 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (PubChem CID 156699077) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
PubChem CID156699077
Molecular FormulaC26H28N8O
Molecular Weight468.57 g/mol
Exact Mass468.24
IUPAC Name5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccn6cncc6c5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C26H28N8O/c1-25(2)12-19(13-26(3,4)31-25)34-24-22(29-32-34)11-21(28-30-24)20-6-5-16(10-23(20)35)17-7-8-33-15-27-14-18(33)9-17/h5-11,14-15,19,31,35H,12-13H2,1-4H3
InChIKeyCXMDEHRGUNSXHR-UHFFFAOYSA-N
XLogP4.39
TPSA106.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The IUPAC name of 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (CID 156699077) is 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol.
What is the SMILES notation for 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The canonical SMILES for 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccn6cncc6c5)cc4O)nnc32)CC(C)(C)N1.
What is the InChIKey of 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The InChIKey is CXMDEHRGUNSXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O/c1-25(2)12-19(13-26(3,4)31-25)34-24-22(29-32-34)11-21(28-30-24)20-6-5-16(10-23(20)35)17-7-8-33-15-27-14-18(33)9-17/h5-11,14-15,19,31,35H,12-13H2,1-4H3.
What are the key properties of 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol has a molecular weight of 468.57 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is sourced from PubChem (CID 156699077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).