2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid

C23H20F3N3O4 — CID 126567038

IUPAC2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2ccc(NCc3cccc(OC(F)(F)F)c3)nc2)nc1C1CC1C(=O)O
InChIInChI=1S/C23H20F3N3O4/c1-32-19-7-6-18(29-21(19)16-10-17(16)22(30)31)14-5-8-20(28-12-14)27-11-13-3-2-4-15(9-13)33-23(24,25)26/h2-9,12,16-17H,10-11H2,1H3,(H,27,28)(H,30,31)
InChIKeyLWAZNEXTGDZMST-UHFFFAOYSA-N
MW459.42 g/mol
LogP4.85
Rot. Bonds8

About 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid

2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 126567038) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID126567038
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC Name2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2ccc(NCc3cccc(OC(F)(F)F)c3)nc2)nc1C1CC1C(=O)O
InChIInChI=1S/C23H20F3N3O4/c1-32-19-7-6-18(29-21(19)16-10-17(16)22(30)31)14-5-8-20(28-12-14)27-11-13-3-2-4-15(9-13)33-23(24,25)26/h2-9,12,16-17H,10-11H2,1H3,(H,27,28)(H,30,31)
InChIKeyLWAZNEXTGDZMST-UHFFFAOYSA-N
XLogP4.85
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

trans-(1R,2R)-2-[2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid
CID 126566954
trans-ethyl (1S,2S)-2-[3-methyl-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate
CID 126598510
methyl 2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]benzoate
CID 126598523
1-[2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid
CID 126566979
3-[2,6-dimethoxy-4-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]-2-methylpropanoic acid
CID 126566961
5-[4-chloro-6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-methoxybenzoic acid
CID 126598535
trans-tert-butyl (1S,2S)-2-[3-chloro-6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate
CID 126586088
trans-(1S,2S)-2-[3-methoxy-6-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 167627764
2-[(3R)-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 126599009
2-[3-cyano-2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]-2-methylpropanoic acid
CID 126567028
methyl 2-chloro-3-hydroxy-5-[2-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]benzoate
CID 126598517
7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid
CID 126567048

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid (CID 126567038) is 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid is COc1ccc(-c2ccc(NCc3cccc(OC(F)(F)F)c3)nc2)nc1C1CC1C(=O)O.
What is the InChIKey of 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is LWAZNEXTGDZMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c1-32-19-7-6-18(29-21(19)16-10-17(16)22(30)31)14-5-8-20(28-12-14)27-11-13-3-2-4-15(9-13)33-23(24,25)26/h2-9,12,16-17H,10-11H2,1H3,(H,27,28)(H,30,31).
What are the key properties of 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid?
2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 459.42 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 126567038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).