6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide

C24H30N6O2 — CID 136607617

IUPAC6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide
SMILESCN(c1ccc(-c2cc3c(C(N)=O)nccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30N6O2/c1-23(2)12-15(13-24(3,4)29-23)30(5)20-7-6-18(27-28-20)17-11-16-14(10-19(17)31)8-9-26-21(16)22(25)32/h6-11,15,29,31H,12-13H2,1-5H3,(H2,25,32)
InChIKeyAEKJAPJUDBOCEP-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.24
Rot. Bonds4

About 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide

6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide (PubChem CID 136607617) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide.

Molecular Properties

Compound Name6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide
PubChem CID136607617
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide
SMILESCN(c1ccc(-c2cc3c(C(N)=O)nccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30N6O2/c1-23(2)12-15(13-24(3,4)29-23)30(5)20-7-6-18(27-28-20)17-11-16-14(10-19(17)31)8-9-26-21(16)22(25)32/h6-11,15,29,31H,12-13H2,1-5H3,(H2,25,32)
InChIKeyAEKJAPJUDBOCEP-UHFFFAOYSA-N
XLogP3.24
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide?
The IUPAC name of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide (CID 136607617) is 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide.
What is the SMILES notation for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide?
The canonical SMILES for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide is CN(c1ccc(-c2cc3c(C(N)=O)nccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide?
The InChIKey is AEKJAPJUDBOCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-23(2)12-15(13-24(3,4)29-23)30(5)20-7-6-18(27-28-20)17-11-16-14(10-19(17)31)8-9-26-21(16)22(25)32/h6-11,15,29,31H,12-13H2,1-5H3,(H2,25,32).
What are the key properties of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide?
6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carboxamide is sourced from PubChem (CID 136607617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).