1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid

C26H29F3N2O4 — CID 67194811

IUPAC1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
SMILESCC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3cnc(OC(C)C)cc3C(F)(F)F)ccc21
InChIInChI=1S/C26H29F3N2O4/c1-15(2)35-24-9-23(26(27,28)29)19(10-30-24)14-34-21-6-7-22-16(3)18(5-4-17(22)8-21)11-31-12-20(13-31)25(32)33/h6-10,15,20H,4-5,11-14H2,1-3H3,(H,32,33)
InChIKeyYYGDXSVTTOVFFK-UHFFFAOYSA-N
MW490.52 g/mol
LogP5.20
Rot. Bonds8

About 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid

1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid (PubChem CID 67194811) has the molecular formula C26H29F3N2O4 and a molecular weight of 490.52 g/mol. Its IUPAC name is 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
PubChem CID67194811
Molecular FormulaC26H29F3N2O4
Molecular Weight490.52 g/mol
Exact Mass490.21
IUPAC Name1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
SMILESCC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3cnc(OC(C)C)cc3C(F)(F)F)ccc21
InChIInChI=1S/C26H29F3N2O4/c1-15(2)35-24-9-23(26(27,28)29)19(10-30-24)14-34-21-6-7-22-16(3)18(5-4-17(22)8-21)11-31-12-20(13-31)25(32)33/h6-10,15,20H,4-5,11-14H2,1-3H3,(H,32,33)
InChIKeyYYGDXSVTTOVFFK-UHFFFAOYSA-N
XLogP5.20
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid (CID 67194811) is 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid is CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3cnc(OC(C)C)cc3C(F)(F)F)ccc21.
What is the InChIKey of 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid?
The InChIKey is YYGDXSVTTOVFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N2O4/c1-15(2)35-24-9-23(26(27,28)29)19(10-30-24)14-34-21-6-7-22-16(3)18(5-4-17(22)8-21)11-31-12-20(13-31)25(32)33/h6-10,15,20H,4-5,11-14H2,1-3H3,(H,32,33).
What are the key properties of 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid?
1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid has a molecular weight of 490.52 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-methyl-6-[[6-propan-2-yloxy-4-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 67194811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).