2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine

C23H27N3O3 — CID 58255762

IUPAC2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine
SMILESNc1cc(-c2cccc(OC3CCCCO3)c2)cc2nn(C3CCCCO3)cc12
InChIInChI=1S/C23H27N3O3/c24-20-13-17(14-21-19(20)15-26(25-21)22-8-1-3-10-27-22)16-6-5-7-18(12-16)29-23-9-2-4-11-28-23/h5-7,12-15,22-23H,1-4,8-11,24H2
InChIKeyOLTVYZAXVWSLLN-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.89
Rot. Bonds4

About 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine

2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine (PubChem CID 58255762) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine.

Molecular Properties

Compound Name2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine
PubChem CID58255762
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine
SMILESNc1cc(-c2cccc(OC3CCCCO3)c2)cc2nn(C3CCCCO3)cc12
InChIInChI=1S/C23H27N3O3/c24-20-13-17(14-21-19(20)15-26(25-21)22-8-1-3-10-27-22)16-6-5-7-18(12-16)29-23-9-2-4-11-28-23/h5-7,12-15,22-23H,1-4,8-11,24H2
InChIKeyOLTVYZAXVWSLLN-UHFFFAOYSA-N
XLogP4.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine?
The IUPAC name of 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine (CID 58255762) is 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine.
What is the SMILES notation for 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine?
The canonical SMILES for 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine is Nc1cc(-c2cccc(OC3CCCCO3)c2)cc2nn(C3CCCCO3)cc12.
What is the InChIKey of 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine?
The InChIKey is OLTVYZAXVWSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c24-20-13-17(14-21-19(20)15-26(25-21)22-8-1-3-10-27-22)16-6-5-7-18(12-16)29-23-9-2-4-11-28-23/h5-7,12-15,22-23H,1-4,8-11,24H2.
What are the key properties of 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine?
2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine has a molecular weight of 393.49 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine is sourced from PubChem (CID 58255762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).