2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid

C24H24F3N3O4 — CID 71222507

IUPAC2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1nn(CC(=O)O)c2cccc(OC)c12)C(=O)C1CC1
InChIInChI=1S/C24H24F3N3O4/c1-3-29(23(33)14-7-8-14)12-15-11-16(24(25,26)27)9-10-17(15)22-21-18(5-4-6-19(21)34-2)30(28-22)13-20(31)32/h4-6,9-11,14H,3,7-8,12-13H2,1-2H3,(H,31,32)
InChIKeyCCTWRXSUSUIJSL-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.57
Rot. Bonds8

About 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid

2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid (PubChem CID 71222507) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid
PubChem CID71222507
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Name2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1nn(CC(=O)O)c2cccc(OC)c12)C(=O)C1CC1
InChIInChI=1S/C24H24F3N3O4/c1-3-29(23(33)14-7-8-14)12-15-11-16(24(25,26)27)9-10-17(15)22-21-18(5-4-6-19(21)34-2)30(28-22)13-20(31)32/h4-6,9-11,14H,3,7-8,12-13H2,1-2H3,(H,31,32)
InChIKeyCCTWRXSUSUIJSL-UHFFFAOYSA-N
XLogP4.57
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid with MolForge

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Related Compounds

Methyl 2-[3-(2-methoxyphenyl)indazol-1-yl]acetate
CID 49835850
2-[3-[5-fluoro-2-[3-(3-methylindazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid
CID 71611552
Methyl 2-(6-methoxy-3-phenylindazol-1-yl)acetate
CID 49835812
(E)-3-[1-[(2,4-dimethylphenyl)methyl]-6-(trifluoromethoxy)indazol-3-yl]prop-2-enoic acid
CID 70806055
Tert-butyl 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetate
CID 123753049
2,2-Difluoro-2-[1-[(2-isocyano-6-methoxyphenyl)methyl]-3-methylindazol-6-yl]acetic acid
CID 123781432
4-Methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole
CID 152570078
3-[4-[(1R)-1-[4-methoxy-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-1-yl]-3-methylbutyl]anilino]propanoic acid
CID 155338443
Tert-butyl 4-[[4-(difluoromethoxy)-3-methylindazol-2-yl]methyl]piperidine-1-carboxylate
CID 172687017
5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175056064
Methyl 1-[(2,4-dimethylphenyl)methyl]-6-(trifluoromethoxy)indazole-3-carboxylate
CID 162604196
4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175057264

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid (CID 71222507) is 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid is CCN(Cc1cc(C(F)(F)F)ccc1-c1nn(CC(=O)O)c2cccc(OC)c12)C(=O)C1CC1.
What is the InChIKey of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid?
The InChIKey is CCTWRXSUSUIJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-3-29(23(33)14-7-8-14)12-15-11-16(24(25,26)27)9-10-17(15)22-21-18(5-4-6-19(21)34-2)30(28-22)13-20(31)32/h4-6,9-11,14H,3,7-8,12-13H2,1-2H3,(H,31,32).
What are the key properties of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid?
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid has a molecular weight of 475.47 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid is sourced from PubChem (CID 71222507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).