3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol

C22H29N5O3 — CID 156699219

IUPAC3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCOCOc1cc(O)ccc1-c1cc2cnn(C3CC(C)(C)NC(C)(C)C3)c2nn1
InChIInChI=1S/C22H29N5O3/c1-21(2)10-15(11-22(3,4)26-21)27-20-14(12-23-27)8-18(24-25-20)17-7-6-16(28)9-19(17)30-13-29-5/h6-9,12,15,26,28H,10-11,13H2,1-5H3
InChIKeyAUCATVOORQUENE-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.66
Rot. Bonds5

About 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol

3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol (PubChem CID 156699219) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol.

Molecular Properties

Compound Name3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
PubChem CID156699219
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
SMILESCOCOc1cc(O)ccc1-c1cc2cnn(C3CC(C)(C)NC(C)(C)C3)c2nn1
InChIInChI=1S/C22H29N5O3/c1-21(2)10-15(11-22(3,4)26-21)27-20-14(12-23-27)8-18(24-25-20)17-7-6-16(28)9-19(17)30-13-29-5/h6-9,12,15,26,28H,10-11,13H2,1-5H3
InChIKeyAUCATVOORQUENE-UHFFFAOYSA-N
XLogP3.66
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The IUPAC name of 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol (CID 156699219) is 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol.
What is the SMILES notation for 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The canonical SMILES for 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol is COCOc1cc(O)ccc1-c1cc2cnn(C3CC(C)(C)NC(C)(C)C3)c2nn1.
What is the InChIKey of 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
The InChIKey is AUCATVOORQUENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-21(2)10-15(11-22(3,4)26-21)27-20-14(12-23-27)8-18(24-25-20)17-7-6-16(28)9-19(17)30-13-29-5/h6-9,12,15,26,28H,10-11,13H2,1-5H3.
What are the key properties of 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol?
3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol has a molecular weight of 411.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-4-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol is sourced from PubChem (CID 156699219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).