ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate

C24H27F3N2O4 — CID 170599471

IUPACethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate
SMILESCC.COC(=O)CNC1(c2c(C)oc3ccc(OCc4cccnc4C(F)(F)F)cc23)CC1
InChIInChI=1S/C22H21F3N2O4.C2H6/c1-13-19(21(7-8-21)27-11-18(28)29-2)16-10-15(5-6-17(16)31-13)30-12-14-4-3-9-26-20(14)22(23,24)25;1-2/h3-6,9-10,27H,7-8,11-12H2,1-2H3;1-2H3
InChIKeyWFGRAWNYUZGINH-UHFFFAOYSA-N
MW464.48 g/mol
LogP5.51
Rot. Bonds7

About ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate

ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate (PubChem CID 170599471) has the molecular formula C24H27F3N2O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate.

Molecular Properties

Compound Nameethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate
PubChem CID170599471
Molecular FormulaC24H27F3N2O4
Molecular Weight464.48 g/mol
Exact Mass464.19
IUPAC Nameethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate
SMILESCC.COC(=O)CNC1(c2c(C)oc3ccc(OCc4cccnc4C(F)(F)F)cc23)CC1
InChIInChI=1S/C22H21F3N2O4.C2H6/c1-13-19(21(7-8-21)27-11-18(28)29-2)16-10-15(5-6-17(16)31-13)30-12-14-4-3-9-26-20(14)22(23,24)25;1-2/h3-6,9-10,27H,7-8,11-12H2,1-2H3;1-2H3
InChIKeyWFGRAWNYUZGINH-UHFFFAOYSA-N
XLogP5.51
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380438
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
2-methyl-N-(1H-pyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380491
methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate
CID 170602810
4-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 175480674
N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163381037
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide
CID 170602684
ethyl 5-[(2-chloro-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 163380731
4-chloro-N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 169222061
2-[2-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyliminoacetamide
CID 170417941

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate?
The IUPAC name of ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate (CID 170599471) is ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate.
What is the SMILES notation for ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate?
The canonical SMILES for ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate is CC.COC(=O)CNC1(c2c(C)oc3ccc(OCc4cccnc4C(F)(F)F)cc23)CC1.
What is the InChIKey of ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate?
The InChIKey is WFGRAWNYUZGINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O4.C2H6/c1-13-19(21(7-8-21)27-11-18(28)29-2)16-10-15(5-6-17(16)31-13)30-12-14-4-3-9-26-20(14)22(23,24)25;1-2/h3-6,9-10,27H,7-8,11-12H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate?
ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate has a molecular weight of 464.48 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate is sourced from PubChem (CID 170599471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).