3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide

C26H24F3N3O3 — CID 46943973

IUPAC3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H24F3N3O3/c1-31-25(34)21-15-20(30-24(33)13-10-18-7-3-4-9-23(18)35-2)11-12-22(21)32(31)16-17-6-5-8-19(14-17)26(27,28)29/h3-9,11-12,14-15H,10,13,16H2,1-2H3,(H,30,33)
InChIKeyOXALYSUAGBGDIM-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.99
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide

3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide (PubChem CID 46943973) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide
PubChem CID46943973
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H24F3N3O3/c1-31-25(34)21-15-20(30-24(33)13-10-18-7-3-4-9-23(18)35-2)11-12-22(21)32(31)16-17-6-5-8-19(14-17)26(27,28)29/h3-9,11-12,14-15H,10,13,16H2,1-2H3,(H,30,33)
InChIKeyOXALYSUAGBGDIM-UHFFFAOYSA-N
XLogP4.99
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide (CID 46943973) is 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide is COc1ccccc1CCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide?
The InChIKey is OXALYSUAGBGDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c1-31-25(34)21-15-20(30-24(33)13-10-18-7-3-4-9-23(18)35-2)11-12-22(21)32(31)16-17-6-5-8-19(14-17)26(27,28)29/h3-9,11-12,14-15H,10,13,16H2,1-2H3,(H,30,33).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide?
3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide has a molecular weight of 483.49 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-methyl-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indazol-5-yl]propanamide is sourced from PubChem (CID 46943973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).