2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

C23H29N5O2 — CID 175538368

IUPAC2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCC1C(C(O)c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CCN(C)C1(C)C
InChIInChI=1S/C23H29N5O2/c1-14-17(9-10-28(4)23(14,2)3)22(30)20-8-7-19(26-27-20)18-6-5-15(11-21(18)29)16-12-24-25-13-16/h5-8,11-14,17,22,29-30H,9-10H2,1-4H3,(H,24,25)
InChIKeyYBAIZJCOXWUVCC-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.64
Rot. Bonds4

About 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 175538368) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID175538368
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCC1C(C(O)c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CCN(C)C1(C)C
InChIInChI=1S/C23H29N5O2/c1-14-17(9-10-28(4)23(14,2)3)22(30)20-8-7-19(26-27-20)18-6-5-15(11-21(18)29)16-12-24-25-13-16/h5-8,11-14,17,22,29-30H,9-10H2,1-4H3,(H,24,25)
InChIKeyYBAIZJCOXWUVCC-UHFFFAOYSA-N
XLogP3.64
TPSA98.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (CID 175538368) is 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is CC1C(C(O)c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CCN(C)C1(C)C.
What is the InChIKey of 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is YBAIZJCOXWUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-14-17(9-10-28(4)23(14,2)3)22(30)20-8-7-19(26-27-20)18-6-5-15(11-21(18)29)16-12-24-25-13-16/h5-8,11-14,17,22,29-30H,9-10H2,1-4H3,(H,24,25).
What are the key properties of 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 407.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[hydroxy-(1,2,2,3-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 175538368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).