1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol

C24H18F3N3O — CID 174540080

IUPAC1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
SMILESCC(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)n1ccc2cccc(F)c21
InChIInChI=1S/C24H18F3N3O/c1-24(31,23(27)29-12-11-15-3-2-4-20(26)22(15)29)17-5-10-21-16(13-17)14-28-30(21)19-8-6-18(25)7-9-19/h2-14,23,31H,1H3
InChIKeyRRRBUDTXSZFRLJ-UHFFFAOYSA-N
MW421.42 g/mol
LogP5.63
Rot. Bonds4

About 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol

1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol (PubChem CID 174540080) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
PubChem CID174540080
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC Name1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
SMILESCC(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)n1ccc2cccc(F)c21
InChIInChI=1S/C24H18F3N3O/c1-24(31,23(27)29-12-11-15-3-2-4-20(26)22(15)29)17-5-10-21-16(13-17)14-28-30(21)19-8-6-18(25)7-9-19/h2-14,23,31H,1H3
InChIKeyRRRBUDTXSZFRLJ-UHFFFAOYSA-N
XLogP5.63
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-1-(2,4,6-trifluoroanilino)propan-2-ol
CID 174540103
1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol
CID 150429566
fluoroform;1-[1-(3-fluorophenyl)indazol-5-yl]-1-naphthalen-1-ylethanol
CID 143372248
3-[1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-yl]benzene-1,2-diamine
CID 91060802
1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 87725211
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
CID 141205017
ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 143372133
1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
CID 151196257
2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-4-yl)ethanol
CID 174540095
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 59437236
1-(4-fluorophenyl)indazol-5-amine
CID 59235727
1-ethyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,3-trimethylbutyl]urea
CID 59251182

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol?
The IUPAC name of 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol (CID 174540080) is 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol?
The canonical SMILES for 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol is CC(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)n1ccc2cccc(F)c21.
What is the InChIKey of 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol?
The InChIKey is RRRBUDTXSZFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O/c1-24(31,23(27)29-12-11-15-3-2-4-20(26)22(15)29)17-5-10-21-16(13-17)14-28-30(21)19-8-6-18(25)7-9-19/h2-14,23,31H,1H3.
What are the key properties of 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol?
1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol has a molecular weight of 421.42 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol is sourced from PubChem (CID 174540080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).