5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol

C23H19ClFN3O2 — CID 163233972

IUPAC5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(N5CCOCC5)cc4Cl)ccc32)ccc1F
InChIInChI=1S/C23H19ClFN3O2/c24-20-12-17(27-7-9-30-10-8-27)2-4-19(20)15-1-6-22-16(11-15)14-26-28(22)18-3-5-21(25)23(29)13-18/h1-6,11-14,29H,7-10H2
InChIKeyBHXBYSIZUDYPKM-UHFFFAOYSA-N
MW423.88 g/mol
LogP5.03
Rot. Bonds3

About 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol

5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol (PubChem CID 163233972) has the molecular formula C23H19ClFN3O2 and a molecular weight of 423.88 g/mol. Its IUPAC name is 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol
PubChem CID163233972
Molecular FormulaC23H19ClFN3O2
Molecular Weight423.88 g/mol
Exact Mass423.11
IUPAC Name5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(N5CCOCC5)cc4Cl)ccc32)ccc1F
InChIInChI=1S/C23H19ClFN3O2/c24-20-12-17(27-7-9-30-10-8-27)2-4-19(20)15-1-6-22-16(11-15)14-26-28(22)18-3-5-21(25)23(29)13-18/h1-6,11-14,29H,7-10H2
InChIKeyBHXBYSIZUDYPKM-UHFFFAOYSA-N
XLogP5.03
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.88
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-4-(1-(2-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233808
5-(6-Cloro-5-(2-chloro-4-hydroxyphenyl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233880
2-Fluoro-5-(5-(4-hydroxyphenyl)-1H-indazol-1-yl)phenol
CID 163233888
2-Chloro-4-(1-(3-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233899
2-Fluoro-5-(5-(o-tolyl)-1H-indazol-1-yl)phenol
CID 163233905
5-(5-(2-Chloro-4-(difluoromethoxy)phenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233946
5-(5-(3-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233963
N-(3-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)acetamide
CID 163233992
5-(5-(4-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233999
5-(5-(4-Amino-2-chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234013
5-(6-Chloro-5-(1-(methylsulfonyl)piperidin-4-yl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163234045
2-Fluoro-5-(5-(m-tolyl)-1H-indazol-1-yl)phenol
CID 163234055

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol?
The IUPAC name of 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol (CID 163233972) is 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol.
What is the SMILES notation for 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol?
The canonical SMILES for 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol is Oc1cc(-n2ncc3cc(-c4ccc(N5CCOCC5)cc4Cl)ccc32)ccc1F.
What is the InChIKey of 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol?
The InChIKey is BHXBYSIZUDYPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O2/c24-20-12-17(27-7-9-30-10-8-27)2-4-19(20)15-1-6-22-16(11-15)14-26-28(22)18-3-5-21(25)23(29)13-18/h1-6,11-14,29H,7-10H2.
What are the key properties of 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol?
5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol has a molecular weight of 423.88 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-chloro-4-morpholin-4-ylphenyl)indazol-1-yl]-2-fluorophenol is sourced from PubChem (CID 163233972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).