4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol

C25H26N4O — CID 166628006

IUPAC4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol
SMILESCCN1CCN(c2ccc(-c3n[nH]c4cc(-c5ccc(O)cc5)ccc34)cc2)CC1
InChIInChI=1S/C25H26N4O/c1-2-28-13-15-29(16-14-28)21-8-3-19(4-9-21)25-23-12-7-20(17-24(23)26-27-25)18-5-10-22(30)11-6-18/h3-12,17,30H,2,13-16H2,1H3,(H,26,27)
InChIKeyFEHIEHYDGHFMNV-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.74
Rot. Bonds4

About 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol

4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol (PubChem CID 166628006) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol
PubChem CID166628006
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol
SMILESCCN1CCN(c2ccc(-c3n[nH]c4cc(-c5ccc(O)cc5)ccc34)cc2)CC1
InChIInChI=1S/C25H26N4O/c1-2-28-13-15-29(16-14-28)21-8-3-19(4-9-21)25-23-12-7-20(17-24(23)26-27-25)18-5-10-22(30)11-6-18/h3-12,17,30H,2,13-16H2,1H3,(H,26,27)
InChIKeyFEHIEHYDGHFMNV-UHFFFAOYSA-N
XLogP4.74
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol?
The IUPAC name of 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol (CID 166628006) is 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol is CCN1CCN(c2ccc(-c3n[nH]c4cc(-c5ccc(O)cc5)ccc34)cc2)CC1.
What is the InChIKey of 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol?
The InChIKey is FEHIEHYDGHFMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-2-28-13-15-29(16-14-28)21-8-3-19(4-9-21)25-23-12-7-20(17-24(23)26-27-25)18-5-10-22(30)11-6-18/h3-12,17,30H,2,13-16H2,1H3,(H,26,27).
What are the key properties of 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol?
4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol has a molecular weight of 398.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 166628006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).