6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid

C30H29F4N3O5 — CID 162653900

IUPAC6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5cccc(OC(F)(F)F)c5)noc4C4CC4)CC3)cc21
InChIInChI=1S/C30H29F4N3O5/c1-36-15-23(28(38)39)22-8-7-20(14-25(22)36)37-11-9-29(31,10-12-37)17-40-16-24-26(35-42-27(24)18-5-6-18)19-3-2-4-21(13-19)41-30(32,33)34/h2-4,7-8,13-15,18H,5-6,9-12,16-17H2,1H3,(H,38,39)
InChIKeyDBXCGUUPQHWYTH-UHFFFAOYSA-N
MW587.57 g/mol
LogP6.83
Rot. Bonds9

About 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid

6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid (PubChem CID 162653900) has the molecular formula C30H29F4N3O5 and a molecular weight of 587.57 g/mol. Its IUPAC name is 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid
PubChem CID162653900
Molecular FormulaC30H29F4N3O5
Molecular Weight587.57 g/mol
Exact Mass587.20
IUPAC Name6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5cccc(OC(F)(F)F)c5)noc4C4CC4)CC3)cc21
InChIInChI=1S/C30H29F4N3O5/c1-36-15-23(28(38)39)22-8-7-20(14-25(22)36)37-11-9-29(31,10-12-37)17-40-16-24-26(35-42-27(24)18-5-6-18)19-3-2-4-21(13-19)41-30(32,33)34/h2-4,7-8,13-15,18H,5-6,9-12,16-17H2,1H3,(H,38,39)
InChIKeyDBXCGUUPQHWYTH-UHFFFAOYSA-N
XLogP6.83
TPSA89.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.57
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-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-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid?
The IUPAC name of 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid (CID 162653900) is 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid?
The canonical SMILES for 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid is Cn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5cccc(OC(F)(F)F)c5)noc4C4CC4)CC3)cc21.
What is the InChIKey of 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid?
The InChIKey is DBXCGUUPQHWYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F4N3O5/c1-36-15-23(28(38)39)22-8-7-20(14-25(22)36)37-11-9-29(31,10-12-37)17-40-16-24-26(35-42-27(24)18-5-6-18)19-3-2-4-21(13-19)41-30(32,33)34/h2-4,7-8,13-15,18H,5-6,9-12,16-17H2,1H3,(H,38,39).
What are the key properties of 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid?
6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid has a molecular weight of 587.57 g/mol, XLogP of 6.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 162653900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).