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

C25H27N9O — CID 156699267

IUPAC5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5cnc6cnccn56)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C25H27N9O/c1-24(2)11-16(12-25(3,4)31-24)34-23-19(29-32-34)10-18(28-30-23)17-6-5-15(9-21(17)35)20-13-27-22-14-26-7-8-33(20)22/h5-10,13-14,16,31,35H,11-12H2,1-4H3
InChIKeyQUOQKLKFEJLOTO-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.79
Rot. Bonds3

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

5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (PubChem CID 156699267) has the molecular formula C25H27N9O and a molecular weight of 469.55 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
PubChem CID156699267
Molecular FormulaC25H27N9O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC Name5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5cnc6cnccn56)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C25H27N9O/c1-24(2)11-16(12-25(3,4)31-24)34-23-19(29-32-34)10-18(28-30-23)17-6-5-15(9-21(17)35)20-13-27-22-14-26-7-8-33(20)22/h5-10,13-14,16,31,35H,11-12H2,1-4H3
InChIKeyQUOQKLKFEJLOTO-UHFFFAOYSA-N
XLogP3.79
TPSA118.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The IUPAC name of 5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (CID 156699267) is 5-imidazo[1,2-a]pyrazin-3-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[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The canonical SMILES for 5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is CC1(C)CC(n2nnc3cc(-c4ccc(-c5cnc6cnccn56)cc4O)nnc32)CC(C)(C)N1.
What is the InChIKey of 5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The InChIKey is QUOQKLKFEJLOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O/c1-24(2)11-16(12-25(3,4)31-24)34-23-19(29-32-34)10-18(28-30-23)17-6-5-15(9-21(17)35)20-13-27-22-14-26-7-8-33(20)22/h5-10,13-14,16,31,35H,11-12H2,1-4H3.
What are the key properties of 5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol has a molecular weight of 469.55 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-a]pyrazin-3-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is sourced from PubChem (CID 156699267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).