4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol

C23H23N4O+ — CID 157049297

IUPAC4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(N5CC[NH2+]CC5)cc4)n[nH]c3c2)cc1
InChIInChI=1S/C23H22N4O/c28-20-8-3-16(4-9-20)18-5-10-21-22(15-18)25-26-23(21)17-1-6-19(7-2-17)27-13-11-24-12-14-27/h1-10,15,24,28H,11-14H2,(H,25,26)/p+1
InChIKeyOYKIIJTXTXJYKZ-UHFFFAOYSA-O
MW371.46 g/mol
LogP2.99
Rot. Bonds3

About 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol

4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol (PubChem CID 157049297) has the molecular formula C23H23N4O+ and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol
PubChem CID157049297
Molecular FormulaC23H23N4O+
Molecular Weight371.46 g/mol
Exact Mass371.19
IUPAC Name4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(N5CC[NH2+]CC5)cc4)n[nH]c3c2)cc1
InChIInChI=1S/C23H22N4O/c28-20-8-3-16(4-9-20)18-5-10-21-22(15-18)25-26-23(21)17-1-6-19(7-2-17)27-13-11-24-12-14-27/h1-10,15,24,28H,11-14H2,(H,25,26)/p+1
InChIKeyOYKIIJTXTXJYKZ-UHFFFAOYSA-O
XLogP2.99
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US10183942, Example 3
CID 137426013
4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol
CID 57395544
Fgfr2-IN-2
CID 157049298
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
CID 164621474
4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol
CID 166626703
3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 166627769
4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol
CID 166628006
2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol
CID 166629853
3-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol
CID 166631285
4-[3-(4-hydroxyphenyl)-1H-indazol-6-yl]phenol
CID 166632081
3-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 21877386
3-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]phenol
CID 57446049

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol?
The IUPAC name of 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol (CID 157049297) is 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol is Oc1ccc(-c2ccc3c(-c4ccc(N5CC[NH2+]CC5)cc4)n[nH]c3c2)cc1.
What is the InChIKey of 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol?
The InChIKey is OYKIIJTXTXJYKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22N4O/c28-20-8-3-16(4-9-20)18-5-10-21-22(15-18)25-26-23(21)17-1-6-19(7-2-17)27-13-11-24-12-14-27/h1-10,15,24,28H,11-14H2,(H,25,26)/p+1.
What are the key properties of 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol?
4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol has a molecular weight of 371.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 157049297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).