5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol

C26H33N5O — CID 170263010

IUPAC5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol
SMILESCc1cc(-c2cncc(O)c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C26H33N5O/c1-17-11-18(19-12-21(32)16-27-15-19)7-8-22(17)23-9-10-24(29-28-23)31(6)20-13-25(2,3)30-26(4,5)14-20/h7-12,15-16,20,30,32H,13-14H2,1-6H3
InChIKeyGABDEFQDOQMRQO-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.97
Rot. Bonds4

About 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol

5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol (PubChem CID 170263010) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol
PubChem CID170263010
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol
SMILESCc1cc(-c2cncc(O)c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C26H33N5O/c1-17-11-18(19-12-21(32)16-27-15-19)7-8-22(17)23-9-10-24(29-28-23)31(6)20-13-25(2,3)30-26(4,5)14-20/h7-12,15-16,20,30,32H,13-14H2,1-6H3
InChIKeyGABDEFQDOQMRQO-UHFFFAOYSA-N
XLogP4.97
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol?
The IUPAC name of 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol (CID 170263010) is 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol.
What is the SMILES notation for 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol?
The canonical SMILES for 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol is Cc1cc(-c2cncc(O)c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol?
The InChIKey is GABDEFQDOQMRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-17-11-18(19-12-21(32)16-27-15-19)7-8-22(17)23-9-10-24(29-28-23)31(6)20-13-25(2,3)30-26(4,5)14-20/h7-12,15-16,20,30,32H,13-14H2,1-6H3.
What are the key properties of 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol?
5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol has a molecular weight of 431.58 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyridin-3-ol is sourced from PubChem (CID 170263010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).