6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid

C26H25F3N4O5 — CID 11421211

IUPAC6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CCCN2CCN(C(=O)Oc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)nc1
InChIInChI=1S/C26H25F3N4O5/c27-26(28,29)19-4-10-23(31-17-19)37-21-6-8-22(9-7-21)38-25(36)33-14-12-32(13-15-33)11-1-2-20-5-3-18(16-30-20)24(34)35/h3-10,16-17H,1-2,11-15H2,(H,34,35)
InChIKeyUEEGAASICCCDDL-UHFFFAOYSA-N
MW530.50 g/mol
LogP4.74
Rot. Bonds8

About 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid

6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid (PubChem CID 11421211) has the molecular formula C26H25F3N4O5 and a molecular weight of 530.50 g/mol. Its IUPAC name is 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid
PubChem CID11421211
Molecular FormulaC26H25F3N4O5
Molecular Weight530.50 g/mol
Exact Mass530.18
IUPAC Name6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CCCN2CCN(C(=O)Oc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)nc1
InChIInChI=1S/C26H25F3N4O5/c27-26(28,29)19-4-10-23(31-17-19)37-21-6-8-22(9-7-21)38-25(36)33-14-12-32(13-15-33)11-1-2-20-5-3-18(16-30-20)24(34)35/h3-10,16-17H,1-2,11-15H2,(H,34,35)
InChIKeyUEEGAASICCCDDL-UHFFFAOYSA-N
XLogP4.74
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]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-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid (CID 11421211) is 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(CCCN2CCN(C(=O)Oc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)nc1.
What is the InChIKey of 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid?
The InChIKey is UEEGAASICCCDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O5/c27-26(28,29)19-4-10-23(31-17-19)37-21-6-8-22(9-7-21)38-25(36)33-14-12-32(13-15-33)11-1-2-20-5-3-18(16-30-20)24(34)35/h3-10,16-17H,1-2,11-15H2,(H,34,35).
What are the key properties of 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid?
6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid has a molecular weight of 530.50 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 11421211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).