N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide

C27H22F4N4O2 — CID 24957239

IUPACN-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide
SMILESCNC(=O)CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C27H22F4N4O2/c1-32-25(36)12-13-34-16-22(21-4-2-3-5-24(21)34)26(37,27(29,30)31)18-6-11-23-17(14-18)15-33-35(23)20-9-7-19(28)8-10-20/h2-11,14-16,37H,12-13H2,1H3,(H,32,36)
InChIKeyXZDLTAACJAFKSE-UHFFFAOYSA-N
MW510.49 g/mol
LogP5.05
Rot. Bonds6

About N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide

N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide (PubChem CID 24957239) has the molecular formula C27H22F4N4O2 and a molecular weight of 510.49 g/mol. Its IUPAC name is N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide
PubChem CID24957239
Molecular FormulaC27H22F4N4O2
Molecular Weight510.49 g/mol
Exact Mass510.17
IUPAC NameN-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide
SMILESCNC(=O)CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C27H22F4N4O2/c1-32-25(36)12-13-34-16-22(21-4-2-3-5-24(21)34)26(37,27(29,30)31)18-6-11-23-17(14-18)15-33-35(23)20-9-7-19(28)8-10-20/h2-11,14-16,37H,12-13H2,1H3,(H,32,36)
InChIKeyXZDLTAACJAFKSE-UHFFFAOYSA-N
XLogP5.05
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide?
The IUPAC name of N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide (CID 24957239) is N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide is CNC(=O)CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide?
The InChIKey is XZDLTAACJAFKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4N4O2/c1-32-25(36)12-13-34-16-22(21-4-2-3-5-24(21)34)26(37,27(29,30)31)18-6-11-23-17(14-18)15-33-35(23)20-9-7-19(28)8-10-20/h2-11,14-16,37H,12-13H2,1H3,(H,32,36).
What are the key properties of N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide?
N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide has a molecular weight of 510.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide is sourced from PubChem (CID 24957239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).