2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone

C24H19F7N6O2S — CID 121485664

IUPAC2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
SMILESO=C(Cn1ccc2cc(F)ccc21)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)C[C@@H]1CO
InChIInChI=1S/C24H19F7N6O2S/c25-15-1-2-17-13(7-15)3-4-35(17)11-18(39)37-6-5-36(10-16(37)12-38)20-19(34-22(40-20)24(29,30)31)14-8-32-21(33-9-14)23(26,27)28/h1-4,7-9,16,38H,5-6,10-12H2/t16-/m1/s1
InChIKeyLQRHNGOTLMNBKG-MRXNPFEDSA-N
MW588.51 g/mol
LogP4.44
Rot. Bonds5

About 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone

2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone (PubChem CID 121485664) has the molecular formula C24H19F7N6O2S and a molecular weight of 588.51 g/mol. Its IUPAC name is 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
PubChem CID121485664
Molecular FormulaC24H19F7N6O2S
Molecular Weight588.51 g/mol
Exact Mass588.12
IUPAC Name2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
SMILESO=C(Cn1ccc2cc(F)ccc21)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)C[C@@H]1CO
InChIInChI=1S/C24H19F7N6O2S/c25-15-1-2-17-13(7-15)3-4-35(17)11-18(39)37-6-5-36(10-16(37)12-38)20-19(34-22(40-20)24(29,30)31)14-8-32-21(33-9-14)23(26,27)28/h1-4,7-9,16,38H,5-6,10-12H2/t16-/m1/s1
InChIKeyLQRHNGOTLMNBKG-MRXNPFEDSA-N
XLogP4.44
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone 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 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone (CID 121485664) is 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone is O=C(Cn1ccc2cc(F)ccc21)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)C[C@@H]1CO.
What is the InChIKey of 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
The InChIKey is LQRHNGOTLMNBKG-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H19F7N6O2S/c25-15-1-2-17-13(7-15)3-4-35(17)11-18(39)37-6-5-36(10-16(37)12-38)20-19(34-22(40-20)24(29,30)31)14-8-32-21(33-9-14)23(26,27)28/h1-4,7-9,16,38H,5-6,10-12H2/t16-/m1/s1.
What are the key properties of 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone has a molecular weight of 588.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroindol-1-yl)-1-[(2R)-2-(hydroxymethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121485664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).