1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid

C23H26F3N3O4 — CID 176930339

IUPAC1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(C(F)(F)F)c(N2CCOCC2)cn1
InChIInChI=1S/C23H26F3N3O4/c1-15-8-16(11-28-12-17(13-28)22(30)31)2-3-21(15)33-14-18-9-19(23(24,25)26)20(10-27-18)29-4-6-32-7-5-29/h2-3,8-10,17H,4-7,11-14H2,1H3,(H,30,31)
InChIKeyFPVVTNBBDCUDDF-UHFFFAOYSA-N
MW465.47 g/mol
LogP3.34
Rot. Bonds7

About 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid

1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 176930339) has the molecular formula C23H26F3N3O4 and a molecular weight of 465.47 g/mol. Its IUPAC name is 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID176930339
Molecular FormulaC23H26F3N3O4
Molecular Weight465.47 g/mol
Exact Mass465.19
IUPAC Name1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(C(F)(F)F)c(N2CCOCC2)cn1
InChIInChI=1S/C23H26F3N3O4/c1-15-8-16(11-28-12-17(13-28)22(30)31)2-3-21(15)33-14-18-9-19(23(24,25)26)20(10-27-18)29-4-6-32-7-5-29/h2-3,8-10,17H,4-7,11-14H2,1H3,(H,30,31)
InChIKeyFPVVTNBBDCUDDF-UHFFFAOYSA-N
XLogP3.34
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid with MolForge

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Related Compounds

N-methyl-1-[[4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930457
1-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930273
N-methyl-1-[[3-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930885
1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid
CID 176930816
1-[[4-(3-phenylpropoxy)-3-(trifluoromethyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 70963808
1-[[4-[(3,4-dichlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]azetidine-3-carboxylic acid
CID 176930599
1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
CID 176929935
1-[[2,6-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930184
1-[[4-[[4-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929943
1-[[4-[[4-(oxetan-3-yl)-3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176929998
1-[[6-[[4-cyano-5-(trifluoromethyl)-2-pyridinyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 176999848
N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
CID 167870587

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid (CID 176930339) is 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid is Cc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(C(F)(F)F)c(N2CCOCC2)cn1.
What is the InChIKey of 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is FPVVTNBBDCUDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4/c1-15-8-16(11-28-12-17(13-28)22(30)31)2-3-21(15)33-14-18-9-19(23(24,25)26)20(10-27-18)29-4-6-32-7-5-29/h2-3,8-10,17H,4-7,11-14H2,1H3,(H,30,31).
What are the key properties of 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 465.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 176930339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).