[1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol

C25H34N6O2 — CID 86710565

IUPAC[1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol
SMILESCOc1cc(-n2cc(CO)cn2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C25H34N6O2/c1-24(2)12-19(13-25(3,4)29-24)30(5)23-10-9-21(27-28-23)20-8-7-18(11-22(20)33-6)31-15-17(16-32)14-26-31/h7-11,14-15,19,29,32H,12-13,16H2,1-6H3
InChIKeyHGVDVODSCOJZQN-UHFFFAOYSA-N
MW450.59 g/mol
LogP3.58
Rot. Bonds6

About [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol

[1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol (PubChem CID 86710565) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol
PubChem CID86710565
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name[1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol
SMILESCOc1cc(-n2cc(CO)cn2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C25H34N6O2/c1-24(2)12-19(13-25(3,4)29-24)30(5)23-10-9-21(27-28-23)20-8-7-18(11-22(20)33-6)31-15-17(16-32)14-26-31/h7-11,14-15,19,29,32H,12-13,16H2,1-6H3
InChIKeyHGVDVODSCOJZQN-UHFFFAOYSA-N
XLogP3.58
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol (CID 86710565) is [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol is COc1cc(-n2cc(CO)cn2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol?
The InChIKey is HGVDVODSCOJZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-24(2)12-19(13-25(3,4)29-24)30(5)23-10-9-21(27-28-23)20-8-7-18(11-22(20)33-6)31-15-17(16-32)14-26-31/h7-11,14-15,19,29,32H,12-13,16H2,1-6H3.
What are the key properties of [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol?
[1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol has a molecular weight of 450.59 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 86710565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).