2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

C25H20F4N6O3S — CID 164607389

IUPAC2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(C4CNNC4C(F)(F)F)ccc3s2)cc1F
InChIInChI=1S/C25H20F4N6O3S/c26-16-8-12(3-5-18(16)38-23-14(22(30)37)2-1-7-31-23)9-20(36)34-24-33-17-10-13(4-6-19(17)39-24)15-11-32-35-21(15)25(27,28)29/h1-8,10,15,21,32,35H,9,11H2,(H2,30,37)(H,33,34,36)
InChIKeyGHPWRLCWKJGBMC-UHFFFAOYSA-N
MW560.53 g/mol
LogP4.03
Rot. Bonds7

About 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 164607389) has the molecular formula C25H20F4N6O3S and a molecular weight of 560.53 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID164607389
Molecular FormulaC25H20F4N6O3S
Molecular Weight560.53 g/mol
Exact Mass560.13
IUPAC Name2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(C4CNNC4C(F)(F)F)ccc3s2)cc1F
InChIInChI=1S/C25H20F4N6O3S/c26-16-8-12(3-5-18(16)38-23-14(22(30)37)2-1-7-31-23)9-20(36)34-24-33-17-10-13(4-6-19(17)39-24)15-11-32-35-21(15)25(27,28)29/h1-8,10,15,21,32,35H,9,11H2,(H2,30,37)(H,33,34,36)
InChIKeyGHPWRLCWKJGBMC-UHFFFAOYSA-N
XLogP4.03
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.53
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide 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-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 164607389) is 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(C4CNNC4C(F)(F)F)ccc3s2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is GHPWRLCWKJGBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N6O3S/c26-16-8-12(3-5-18(16)38-23-14(22(30)37)2-1-7-31-23)9-20(36)34-24-33-17-10-13(4-6-19(17)39-24)15-11-32-35-21(15)25(27,28)29/h1-8,10,15,21,32,35H,9,11H2,(H2,30,37)(H,33,34,36).
What are the key properties of 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 560.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-oxo-2-[[5-[3-(trifluoromethyl)pyrazolidin-4-yl]-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 164607389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).