[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium

C23H25N5O4Y — CID 176715571

IUPAC[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium
SMILESCOc1cc(C2CCN(C(=O)c3cc(O)c(Oc4ccc(C)cc4)cn3)CC2)nnc1N.[Y]
InChIInChI=1S/C23H25N5O4.Y/c1-14-3-5-16(6-4-14)32-21-13-25-18(11-19(21)29)23(30)28-9-7-15(8-10-28)17-12-20(31-2)22(24)27-26-17;/h3-6,11-13,15H,7-10H2,1-2H3,(H2,24,27)(H,25,29);
InChIKeyWYQRLJQCXREFNL-UHFFFAOYSA-N
MW524.39 g/mol
LogP3.29
Rot. Bonds5

About [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium

[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium (PubChem CID 176715571) has the molecular formula C23H25N5O4Y and a molecular weight of 524.39 g/mol. Its IUPAC name is [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium.

Molecular Properties

Compound Name[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium
PubChem CID176715571
Molecular FormulaC23H25N5O4Y
Molecular Weight524.39 g/mol
Exact Mass524.10
IUPAC Name[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium
SMILESCOc1cc(C2CCN(C(=O)c3cc(O)c(Oc4ccc(C)cc4)cn3)CC2)nnc1N.[Y]
InChIInChI=1S/C23H25N5O4.Y/c1-14-3-5-16(6-4-14)32-21-13-25-18(11-19(21)29)23(30)28-9-7-15(8-10-28)17-12-20(31-2)22(24)27-26-17;/h3-6,11-13,15H,7-10H2,1-2H3,(H2,24,27)(H,25,29);
InChIKeyWYQRLJQCXREFNL-UHFFFAOYSA-N
XLogP3.29
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium?
The IUPAC name of [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium (CID 176715571) is [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium.
What is the SMILES notation for [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium?
The canonical SMILES for [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium is COc1cc(C2CCN(C(=O)c3cc(O)c(Oc4ccc(C)cc4)cn3)CC2)nnc1N.[Y].
What is the InChIKey of [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium?
The InChIKey is WYQRLJQCXREFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4.Y/c1-14-3-5-16(6-4-14)32-21-13-25-18(11-19(21)29)23(30)28-9-7-15(8-10-28)17-12-20(31-2)22(24)27-26-17;/h3-6,11-13,15H,7-10H2,1-2H3,(H2,24,27)(H,25,29);.
What are the key properties of [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium?
[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium has a molecular weight of 524.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium is sourced from PubChem (CID 176715571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).