5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C26H33N5O2 — CID 136598228

IUPAC5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1ccc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C26H33N5O2/c1-25(2)14-19(15-26(3,4)30-25)31(5)23-11-10-21(28-29-23)20-9-7-17(13-22(20)32)18-8-12-24(33-6)27-16-18/h7-13,16,19,30,32H,14-15H2,1-6H3
InChIKeyYLNSQPPWEVXNFF-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.67
Rot. Bonds5

About 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136598228) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136598228
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1ccc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C26H33N5O2/c1-25(2)14-19(15-26(3,4)30-25)31(5)23-11-10-21(28-29-23)20-9-7-17(13-22(20)32)18-8-12-24(33-6)27-16-18/h7-13,16,19,30,32H,14-15H2,1-6H3
InChIKeyYLNSQPPWEVXNFF-UHFFFAOYSA-N
XLogP4.67
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136598228) is 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is COc1ccc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is YLNSQPPWEVXNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-25(2)14-19(15-26(3,4)30-25)31(5)23-11-10-21(28-29-23)20-9-7-17(13-22(20)32)18-8-12-24(33-6)27-16-18/h7-13,16,19,30,32H,14-15H2,1-6H3.
What are the key properties of 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 447.58 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136598228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).