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

C23H21FN4O — CID 166629853

IUPAC2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c2)cc1F
InChIInChI=1S/C23H21FN4O/c24-20-13-16(4-8-22(20)29)17-3-7-19-21(14-17)26-27-23(19)15-1-5-18(6-2-15)28-11-9-25-10-12-28/h1-8,13-14,25,29H,9-12H2,(H,26,27)
InChIKeyKGTZSYZMWFDDLO-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.15
Rot. Bonds3

About 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol

2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol (PubChem CID 166629853) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol
PubChem CID166629853
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c2)cc1F
InChIInChI=1S/C23H21FN4O/c24-20-13-16(4-8-22(20)29)17-3-7-19-21(14-17)26-27-23(19)15-1-5-18(6-2-15)28-11-9-25-10-12-28/h1-8,13-14,25,29H,9-12H2,(H,26,27)
InChIKeyKGTZSYZMWFDDLO-UHFFFAOYSA-N
XLogP4.15
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

US10183942, Example 3
CID 137426013
Fgfr2-IN-2
CID 157049298
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
3-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol
CID 166631285
3-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]phenol
CID 57446049
5-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]-2-methylphenol
CID 57446053
4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839305
4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]phenol
CID 137639211
4-[3-(4-aminophenyl)-1H-indazol-6-yl]phenol
CID 166625886
4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol
CID 166627727

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol?
The IUPAC name of 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol (CID 166629853) is 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol?
The canonical SMILES for 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol is Oc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c2)cc1F.
What is the InChIKey of 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol?
The InChIKey is KGTZSYZMWFDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-20-13-16(4-8-22(20)29)17-3-7-19-21(14-17)26-27-23(19)15-1-5-18(6-2-15)28-11-9-25-10-12-28/h1-8,13-14,25,29H,9-12H2,(H,26,27).
What are the key properties of 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol?
2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol has a molecular weight of 388.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 166629853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).