5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C26H30N6O — CID 136626075

IUPAC5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Nc2ccc(-c3ccc(-c4cccc5cn[nH]c45)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C26H30N6O/c1-25(2)13-18(14-26(3,4)32-25)28-23-11-10-21(29-30-23)20-9-8-16(12-22(20)33)19-7-5-6-17-15-27-31-24(17)19/h5-12,15,18,32-33H,13-14H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyQVUQKOAKVKDABC-UHFFFAOYSA-N
MW442.57 g/mol
LogP5.11
Rot. Bonds4

About 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136626075) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136626075
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Nc2ccc(-c3ccc(-c4cccc5cn[nH]c45)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C26H30N6O/c1-25(2)13-18(14-26(3,4)32-25)28-23-11-10-21(29-30-23)20-9-8-16(12-22(20)33)19-7-5-6-17-15-27-31-24(17)19/h5-12,15,18,32-33H,13-14H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyQVUQKOAKVKDABC-UHFFFAOYSA-N
XLogP5.11
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136626075) is 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CC1(C)CC(Nc2ccc(-c3ccc(-c4cccc5cn[nH]c45)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is QVUQKOAKVKDABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-25(2)13-18(14-26(3,4)32-25)28-23-11-10-21(29-30-23)20-9-8-16(12-22(20)33)19-7-5-6-17-15-27-31-24(17)19/h5-12,15,18,32-33H,13-14H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 442.57 g/mol, XLogP of 5.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136626075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).