1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione

C26H22N6O5 — CID 10074624

IUPAC1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
SMILESCOc1ccc(-n2cc3cc(Oc4ccc(N5CCCC56C(=O)NC(=O)NC6=O)cn4)ccc3n2)cc1
InChIInChI=1S/C26H22N6O5/c1-36-19-6-3-17(4-7-19)32-15-16-13-20(8-9-21(16)30-32)37-22-10-5-18(14-27-22)31-12-2-11-26(31)23(33)28-25(35)29-24(26)34/h3-10,13-15H,2,11-12H2,1H3,(H2,28,29,33,34,35)
InChIKeyLAVYNMJQBIZSSX-UHFFFAOYSA-N
MW498.50 g/mol
LogP2.93
Rot. Bonds5

About 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione

1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione (PubChem CID 10074624) has the molecular formula C26H22N6O5 and a molecular weight of 498.50 g/mol. Its IUPAC name is 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
PubChem CID10074624
Molecular FormulaC26H22N6O5
Molecular Weight498.50 g/mol
Exact Mass498.17
IUPAC Name1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
SMILESCOc1ccc(-n2cc3cc(Oc4ccc(N5CCCC56C(=O)NC(=O)NC6=O)cn4)ccc3n2)cc1
InChIInChI=1S/C26H22N6O5/c1-36-19-6-3-17(4-7-19)32-15-16-13-20(8-9-21(16)30-32)37-22-10-5-18(14-27-22)31-12-2-11-26(31)23(33)28-25(35)29-24(26)34/h3-10,13-15H,2,11-12H2,1H3,(H2,28,29,33,34,35)
InChIKeyLAVYNMJQBIZSSX-UHFFFAOYSA-N
XLogP2.93
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione (CID 10074624) is 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione is COc1ccc(-n2cc3cc(Oc4ccc(N5CCCC56C(=O)NC(=O)NC6=O)cn4)ccc3n2)cc1.
What is the InChIKey of 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is LAVYNMJQBIZSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O5/c1-36-19-6-3-17(4-7-19)32-15-16-13-20(8-9-21(16)30-32)37-22-10-5-18(14-27-22)31-12-2-11-26(31)23(33)28-25(35)29-24(26)34/h3-10,13-15H,2,11-12H2,1H3,(H2,28,29,33,34,35).
What are the key properties of 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 498.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 10074624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).