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

C25H31N5O2 — CID 136626071

IUPAC5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1ccc(-c2ccc(-c3ccc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C25H31N5O2/c1-24(2)13-18(14-25(3,4)30-24)27-22-10-9-20(28-29-22)19-8-6-16(12-21(19)31)17-7-11-23(32-5)26-15-17/h6-12,15,18,30-31H,13-14H2,1-5H3,(H,27,29)
InChIKeyKAGWXRBVKRRZTE-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.64
Rot. Bonds5

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

5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136626071) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136626071
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1ccc(-c2ccc(-c3ccc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C25H31N5O2/c1-24(2)13-18(14-25(3,4)30-24)27-22-10-9-20(28-29-22)19-8-6-16(12-21(19)31)17-7-11-23(32-5)26-15-17/h6-12,15,18,30-31H,13-14H2,1-5H3,(H,27,29)
InChIKeyKAGWXRBVKRRZTE-UHFFFAOYSA-N
XLogP4.64
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136626071) is 5-(6-methoxy-3-pyridinyl)-2-[6-[(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-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is COc1ccc(-c2ccc(-c3ccc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is KAGWXRBVKRRZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-24(2)13-18(14-25(3,4)30-24)27-22-10-9-20(28-29-22)19-8-6-16(12-21(19)31)17-7-11-23(32-5)26-15-17/h6-12,15,18,30-31H,13-14H2,1-5H3,(H,27,29).
What are the key properties of 5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 433.56 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136626071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).