1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol

C25H33N5O2 — CID 136607595

IUPAC1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
SMILESCCOc1nccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12
InChIInChI=1S/C25H33N5O2/c1-7-32-23-18-13-19(21(31)12-16(18)10-11-26-23)20-8-9-22(28-27-20)30(6)17-14-24(2,3)29-25(4,5)15-17/h8-13,17,29,31H,7,14-15H2,1-6H3
InChIKeyPQSWLKMDSXVWTM-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.54
Rot. Bonds5

About 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol

1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol (PubChem CID 136607595) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol.

Molecular Properties

Compound Name1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
PubChem CID136607595
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
SMILESCCOc1nccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12
InChIInChI=1S/C25H33N5O2/c1-7-32-23-18-13-19(21(31)12-16(18)10-11-26-23)20-8-9-22(28-27-20)30(6)17-14-24(2,3)29-25(4,5)15-17/h8-13,17,29,31H,7,14-15H2,1-6H3
InChIKeyPQSWLKMDSXVWTM-UHFFFAOYSA-N
XLogP4.54
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
The IUPAC name of 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol (CID 136607595) is 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol.
What is the SMILES notation for 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
The canonical SMILES for 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol is CCOc1nccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12.
What is the InChIKey of 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
The InChIKey is PQSWLKMDSXVWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-7-32-23-18-13-19(21(31)12-16(18)10-11-26-23)20-8-9-22(28-27-20)30(6)17-14-24(2,3)29-25(4,5)15-17/h8-13,17,29,31H,7,14-15H2,1-6H3.
What are the key properties of 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol has a molecular weight of 435.57 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol is sourced from PubChem (CID 136607595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).