2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid

C35H33F3N2O4 — CID 146553405

IUPAC2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid
SMILESCOc1cc(-c2cccc(C(C)(C)C(=O)O)c2)cnc1CN(Cc1ccc(C(F)(F)F)o1)Cc1c(C)ccc2ccccc12
InChIInChI=1S/C35H33F3N2O4/c1-22-12-13-23-8-5-6-11-28(23)29(22)20-40(19-27-14-15-32(44-27)35(36,37)38)21-30-31(43-4)17-25(18-39-30)24-9-7-10-26(16-24)34(2,3)33(41)42/h5-18H,19-21H2,1-4H3,(H,41,42)
InChIKeyFKEHIEZWICJMGS-UHFFFAOYSA-N
MW602.65 g/mol
LogP8.40
Rot. Bonds10

About 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid

2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid (PubChem CID 146553405) has the molecular formula C35H33F3N2O4 and a molecular weight of 602.65 g/mol. Its IUPAC name is 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid
PubChem CID146553405
Molecular FormulaC35H33F3N2O4
Molecular Weight602.65 g/mol
Exact Mass602.24
IUPAC Name2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid
SMILESCOc1cc(-c2cccc(C(C)(C)C(=O)O)c2)cnc1CN(Cc1ccc(C(F)(F)F)o1)Cc1c(C)ccc2ccccc12
InChIInChI=1S/C35H33F3N2O4/c1-22-12-13-23-8-5-6-11-28(23)29(22)20-40(19-27-14-15-32(44-27)35(36,37)38)21-30-31(43-4)17-25(18-39-30)24-9-7-10-26(16-24)34(2,3)33(41)42/h5-18H,19-21H2,1-4H3,(H,41,42)
InChIKeyFKEHIEZWICJMGS-UHFFFAOYSA-N
XLogP8.40
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.65
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid 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

4-[1-(Furan-2-ylmethyl)-7,7,10,10-tetramethyl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl]benzoic acid
CID 10345059
4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid
CID 164624509
(2S)-3-[5-[2-[(dimethylamino)methyl]-5-methoxy-4-pyridinyl]naphthalen-1-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoic acid
CID 170587512
(2S)-3-[5-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethoxy-4-pyridinyl]naphthalen-1-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoic acid
CID 170588111
5-[4-[[4-Phenyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine-2-carboxylic acid
CID 16048466
2-Methyl-4-[5-[1-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxypyridin-2-yl]benzoic acid
CID 58180459
5-[4-[4,4-Dimethyl-1-[[5-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]pentyl]phenyl]-5-oxopentanoic acid
CID 58279712
5-[4-[4,4-Dimethyl-1-[[5-methyl-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxy]pentyl]phenyl]-5-oxopentanoic acid
CID 58279729
4-[[4-Carboxybutyl-[2-[6-methyl-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyridin-2-yl]ethyl]amino]methyl]benzoic acid
CID 59265009
(2S)-1-[[4-[[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 66914573
Ethyl 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridin-7-yl]benzoate
CID 67190528
1-(2,6-Difluorophenyl)-4-methoxyisoquinoline-7-carboxylic acid
CID 67961332

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid (CID 146553405) is 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid is COc1cc(-c2cccc(C(C)(C)C(=O)O)c2)cnc1CN(Cc1ccc(C(F)(F)F)o1)Cc1c(C)ccc2ccccc12.
What is the InChIKey of 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid?
The InChIKey is FKEHIEZWICJMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N2O4/c1-22-12-13-23-8-5-6-11-28(23)29(22)20-40(19-27-14-15-32(44-27)35(36,37)38)21-30-31(43-4)17-25(18-39-30)24-9-7-10-26(16-24)34(2,3)33(41)42/h5-18H,19-21H2,1-4H3,(H,41,42).
What are the key properties of 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid?
2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid has a molecular weight of 602.65 g/mol, XLogP of 8.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]-3-pyridinyl]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 146553405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).