1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide

C23H27N3O5 — CID 177176510

IUPAC1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide
SMILESCCn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CCOCC4)cc3)cc21
InChIInChI=1S/C23H27N3O5/c1-2-26-21-14-22(20(23(24)27)13-16(21)15-25-26)31-19-5-3-17(4-6-19)29-11-12-30-18-7-9-28-10-8-18/h3-6,13-15,18H,2,7-12H2,1H3,(H2,24,27)
InChIKeyZOOZYCJWVDXJRS-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.52
Rot. Bonds9

About 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide

1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide (PubChem CID 177176510) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide
PubChem CID177176510
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide
SMILESCCn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CCOCC4)cc3)cc21
InChIInChI=1S/C23H27N3O5/c1-2-26-21-14-22(20(23(24)27)13-16(21)15-25-26)31-19-5-3-17(4-6-19)29-11-12-30-18-7-9-28-10-8-18/h3-6,13-15,18H,2,7-12H2,1H3,(H2,24,27)
InChIKeyZOOZYCJWVDXJRS-UHFFFAOYSA-N
XLogP3.52
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide?
The IUPAC name of 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide (CID 177176510) is 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide?
The canonical SMILES for 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide is CCn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CCOCC4)cc3)cc21.
What is the InChIKey of 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide?
The InChIKey is ZOOZYCJWVDXJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-2-26-21-14-22(20(23(24)27)13-16(21)15-25-26)31-19-5-3-17(4-6-19)29-11-12-30-18-7-9-28-10-8-18/h3-6,13-15,18H,2,7-12H2,1H3,(H2,24,27).
What are the key properties of 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide?
1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide is sourced from PubChem (CID 177176510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).