1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol

C28H26F4N4O — CID 24962384

IUPAC1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
SMILESCN(C)CCCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C28H26F4N4O/c1-34(2)14-5-15-35-18-24(23-6-3-4-7-26(23)35)27(37,28(30,31)32)20-8-13-25-19(16-20)17-33-36(25)22-11-9-21(29)10-12-22/h3-4,6-13,16-18,37H,5,14-15H2,1-2H3
InChIKeyYHNHRXUFNSVNAP-UHFFFAOYSA-N
MW510.54 g/mol
LogP5.87
Rot. Bonds7

About 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol

1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol (PubChem CID 24962384) has the molecular formula C28H26F4N4O and a molecular weight of 510.54 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
PubChem CID24962384
Molecular FormulaC28H26F4N4O
Molecular Weight510.54 g/mol
Exact Mass510.20
IUPAC Name1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
SMILESCN(C)CCCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C28H26F4N4O/c1-34(2)14-5-15-35-18-24(23-6-3-4-7-26(23)35)27(37,28(30,31)32)20-8-13-25-19(16-20)17-33-36(25)22-11-9-21(29)10-12-22/h3-4,6-13,16-18,37H,5,14-15H2,1-2H3
InChIKeyYHNHRXUFNSVNAP-UHFFFAOYSA-N
XLogP5.87
TPSA46.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.54
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
The IUPAC name of 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol (CID 24962384) is 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
The canonical SMILES for 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol is CN(C)CCCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
The InChIKey is YHNHRXUFNSVNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N4O/c1-34(2)14-5-15-35-18-24(23-6-3-4-7-26(23)35)27(37,28(30,31)32)20-8-13-25-19(16-20)17-33-36(25)22-11-9-21(29)10-12-22/h3-4,6-13,16-18,37H,5,14-15H2,1-2H3.
What are the key properties of 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol has a molecular weight of 510.54 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol is sourced from PubChem (CID 24962384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).