6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid

C26H25F3N4O4 — CID 59054548

IUPAC6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2C3CCC2CC(OCc2c(-c4cccnc4C(F)(F)F)noc2C2CC2)C3)nc1
InChIInChI=1S/C26H25F3N4O4/c27-26(28,29)24-19(2-1-9-30-24)22-20(23(37-32-22)14-3-4-14)13-36-18-10-16-6-7-17(11-18)33(16)21-8-5-15(12-31-21)25(34)35/h1-2,5,8-9,12,14,16-18H,3-4,6-7,10-11,13H2,(H,34,35)
InChIKeyXTJAMLKYSVLNRP-UHFFFAOYSA-N
MW514.50 g/mol
LogP5.44
Rot. Bonds7

About 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid

6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid (PubChem CID 59054548) has the molecular formula C26H25F3N4O4 and a molecular weight of 514.50 g/mol. Its IUPAC name is 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
PubChem CID59054548
Molecular FormulaC26H25F3N4O4
Molecular Weight514.50 g/mol
Exact Mass514.18
IUPAC Name6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2C3CCC2CC(OCc2c(-c4cccnc4C(F)(F)F)noc2C2CC2)C3)nc1
InChIInChI=1S/C26H25F3N4O4/c27-26(28,29)24-19(2-1-9-30-24)22-20(23(37-32-22)14-3-4-14)13-36-18-10-16-6-7-17(11-18)33(16)21-8-5-15(12-31-21)25(34)35/h1-2,5,8-9,12,14,16-18H,3-4,6-7,10-11,13H2,(H,34,35)
InChIKeyXTJAMLKYSVLNRP-UHFFFAOYSA-N
XLogP5.44
TPSA101.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-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 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid (CID 59054548) is 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2C3CCC2CC(OCc2c(-c4cccnc4C(F)(F)F)noc2C2CC2)C3)nc1.
What is the InChIKey of 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid?
The InChIKey is XTJAMLKYSVLNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O4/c27-26(28,29)24-19(2-1-9-30-24)22-20(23(37-32-22)14-3-4-14)13-36-18-10-16-6-7-17(11-18)33(16)21-8-5-15(12-31-21)25(34)35/h1-2,5,8-9,12,14,16-18H,3-4,6-7,10-11,13H2,(H,34,35).
What are the key properties of 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid?
6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid has a molecular weight of 514.50 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59054548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).