1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid

C25H20F3N3O3 — CID 86616823

IUPAC1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C25H20F3N3O3/c26-25(27,28)17-6-8-20(29-13-17)15-5-9-21-16(11-15)12-22(24(32)33)31(21)18-7-10-23(30-14-18)34-19-3-1-2-4-19/h5-14,19H,1-4H2,(H,32,33)
InChIKeyHBPPHEYPOXZRCA-UHFFFAOYSA-N
MW467.45 g/mol
LogP6.13
Rot. Bonds5

About 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid

1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid (PubChem CID 86616823) has the molecular formula C25H20F3N3O3 and a molecular weight of 467.45 g/mol. Its IUPAC name is 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid
PubChem CID86616823
Molecular FormulaC25H20F3N3O3
Molecular Weight467.45 g/mol
Exact Mass467.15
IUPAC Name1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C25H20F3N3O3/c26-25(27,28)17-6-8-20(29-13-17)15-5-9-21-16(11-15)12-22(24(32)33)31(21)18-7-10-23(30-14-18)34-19-3-1-2-4-19/h5-14,19H,1-4H2,(H,32,33)
InChIKeyHBPPHEYPOXZRCA-UHFFFAOYSA-N
XLogP6.13
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid?
The IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid (CID 86616823) is 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid.
What is the SMILES notation for 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid?
The canonical SMILES for 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid is O=C(O)c1cc2cc(-c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccc(OC2CCCC2)nc1.
What is the InChIKey of 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid?
The InChIKey is HBPPHEYPOXZRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O3/c26-25(27,28)17-6-8-20(29-13-17)15-5-9-21-16(11-15)12-22(24(32)33)31(21)18-7-10-23(30-14-18)34-19-3-1-2-4-19/h5-14,19H,1-4H2,(H,32,33).
What are the key properties of 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid?
1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid has a molecular weight of 467.45 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid is sourced from PubChem (CID 86616823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).