(E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide

C24H24F3N7O3S — CID 150174905

IUPAC(E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide
SMILESCC(C(=O)Nc1ncc(C(F)(F)F)s1)c1cncc(-c2cnc(NC(=O)/C=C/CN3CCOCC3)cn2)c1
InChIInChI=1S/C24H24F3N7O3S/c1-15(22(36)33-23-31-13-19(38-23)24(25,26)27)16-9-17(11-28-10-16)18-12-30-20(14-29-18)32-21(35)3-2-4-34-5-7-37-8-6-34/h2-3,9-15H,4-8H2,1H3,(H,30,32,35)(H,31,33,36)/b3-2+
InChIKeyFKFASRBFAXIEFZ-NSCUHMNNSA-N
MW547.56 g/mol
LogP3.58
Rot. Bonds8

About (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide

(E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide (PubChem CID 150174905) has the molecular formula C24H24F3N7O3S and a molecular weight of 547.56 g/mol. Its IUPAC name is (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide
PubChem CID150174905
Molecular FormulaC24H24F3N7O3S
Molecular Weight547.56 g/mol
Exact Mass547.16
IUPAC Name(E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide
SMILESCC(C(=O)Nc1ncc(C(F)(F)F)s1)c1cncc(-c2cnc(NC(=O)/C=C/CN3CCOCC3)cn2)c1
InChIInChI=1S/C24H24F3N7O3S/c1-15(22(36)33-23-31-13-19(38-23)24(25,26)27)16-9-17(11-28-10-16)18-12-30-20(14-29-18)32-21(35)3-2-4-34-5-7-37-8-6-34/h2-3,9-15H,4-8H2,1H3,(H,30,32,35)(H,31,33,36)/b3-2+
InChIKeyFKFASRBFAXIEFZ-NSCUHMNNSA-N
XLogP3.58
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide with MolForge

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Related Compounds

N-(2-Aminoethyl)-5-(2-{[4-(Morpholin-4-Yl)pyridin-2-Yl]amino}-1,3-Thiazol-5-Yl)pyridine-3-Carboxamide
CID 15980109
N-[2-(methylamino)ethyl]-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980347
N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980349
4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)-N-(pyridin-2-ylmethyl)benzamide
CID 11662019
5-{2-[(4-Morpholin-4-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}nicotinamide
CID 15979630
5-{2-[(4-morpholin-4-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}-N-(2,2,2-trifluoroethyl)nicotinamide
CID 15980107
N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980108
N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980231
4-fluoro-N-(2-morpholinoethyl)-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 22019143
4-Methyl-2-phenyl-thiazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 36145850
Tetrahydro-pyridin-3-yl]-pyrazin-2-yl}-benzamide
CID 45274293
2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)pyridin-3-yl]pyridine-4-carboxamide
CID 90460448

Frequently Asked Questions

What is the IUPAC name of (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide?
The IUPAC name of (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide (CID 150174905) is (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide.
What is the SMILES notation for (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide?
The canonical SMILES for (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide is CC(C(=O)Nc1ncc(C(F)(F)F)s1)c1cncc(-c2cnc(NC(=O)/C=C/CN3CCOCC3)cn2)c1.
What is the InChIKey of (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide?
The InChIKey is FKFASRBFAXIEFZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H24F3N7O3S/c1-15(22(36)33-23-31-13-19(38-23)24(25,26)27)16-9-17(11-28-10-16)18-12-30-20(14-29-18)32-21(35)3-2-4-34-5-7-37-8-6-34/h2-3,9-15H,4-8H2,1H3,(H,30,32,35)(H,31,33,36)/b3-2+.
What are the key properties of (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide?
(E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide has a molecular weight of 547.56 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-morpholin-4-yl-N-[5-[5-[1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]-3-pyridinyl]pyrazin-2-yl]but-2-enamide is sourced from PubChem (CID 150174905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).