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

C25H19ClN6O4 — CID 10481185

IUPAC1-[6-[2-(4-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc4nn(-c5ccc(Cl)cc5)cc4c3)nc2)C(=O)N1
InChIInChI=1S/C25H19ClN6O4/c26-16-2-4-17(5-3-16)32-14-15-12-19(7-8-20(15)30-32)36-21-9-6-18(13-27-21)31-11-1-10-25(31)22(33)28-24(35)29-23(25)34/h2-9,12-14H,1,10-11H2,(H2,28,29,33,34,35)
InChIKeyCFQNPULTAKGBBA-UHFFFAOYSA-N
MW502.92 g/mol
LogP3.57
Rot. Bonds4

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

1-[6-[2-(4-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione (PubChem CID 10481185) has the molecular formula C25H19ClN6O4 and a molecular weight of 502.92 g/mol. Its IUPAC name is 1-[6-[2-(4-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name1-[6-[2-(4-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
PubChem CID10481185
Molecular FormulaC25H19ClN6O4
Molecular Weight502.92 g/mol
Exact Mass502.12
IUPAC Name1-[6-[2-(4-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc4nn(-c5ccc(Cl)cc5)cc4c3)nc2)C(=O)N1
InChIInChI=1S/C25H19ClN6O4/c26-16-2-4-17(5-3-16)32-14-15-12-19(7-8-20(15)30-32)36-21-9-6-18(13-27-21)31-11-1-10-25(31)22(33)28-24(35)29-23(25)34/h2-9,12-14H,1,10-11H2,(H2,28,29,33,34,35)
InChIKeyCFQNPULTAKGBBA-UHFFFAOYSA-N
XLogP3.57
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.92
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-chlorophenyl)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-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione (CID 10481185) is 1-[6-[2-(4-chlorophenyl)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-chlorophenyl)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-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione is O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc4nn(-c5ccc(Cl)cc5)cc4c3)nc2)C(=O)N1.
What is the InChIKey of 1-[6-[2-(4-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is CFQNPULTAKGBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6O4/c26-16-2-4-17(5-3-16)32-14-15-12-19(7-8-20(15)30-32)36-21-9-6-18(13-27-21)31-11-1-10-25(31)22(33)28-24(35)29-23(25)34/h2-9,12-14H,1,10-11H2,(H2,28,29,33,34,35).
What are the key properties of 1-[6-[2-(4-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
1-[6-[2-(4-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 502.92 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(4-chlorophenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 10481185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).