N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

C23H25F4N7O2S — CID 144895083

About N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 144895083) has the molecular formula C23H25F4N7O2S and a molecular weight of 539.56 g/mol. Its IUPAC name is N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
• PubChem CID: 144895083
• Molecular Formula: C23H25F4N7O2S
• Molecular Weight: 539.56 g/mol
• Exact Mass: 539.17
• IUPAC Name: N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
• SMILES: CCCN1CCC(Oc2ccc(NC(=O)c3c(C)nsc3Nc3cnc(C(F)(F)F)cn3)cn2)[C@H](F)C1
• InChI: InChI=1S/C23H25F4N7O2S/c1-3-7-34-8-6-16(15(24)12-34)36-19-5-4-14(9-30-19)31-21(35)20-13(2)33-37-22(20)32-18-11-28-17(10-29-18)23(25,26)27/h4-5,9-11,15-16H,3,6-8,12H2,1-2H3,(H,29,32)(H,31,35)/t15-,16?/m1/s1
• InChIKey: SLXAURDLAIXKPS-AAFJCEBUSA-N
• XLogP: 4.85
• TPSA: 105.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.56
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?

The IUPAC name of N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (CID 144895083) is N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is CCCN1CCC(Oc2ccc(NC(=O)c3c(C)nsc3Nc3cnc(C(F)(F)F)cn3)cn2)[C@H](F)C1.

What is the InChIKey of N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?

The InChIKey is SLXAURDLAIXKPS-AAFJCEBUSA-N. The full InChI is InChI=1S/C23H25F4N7O2S/c1-3-7-34-8-6-16(15(24)12-34)36-19-5-4-14(9-30-19)31-21(35)20-13(2)33-37-22(20)32-18-11-28-17(10-29-18)23(25,26)27/h4-5,9-11,15-16H,3,6-8,12H2,1-2H3,(H,29,32)(H,31,35)/t15-,16?/m1/s1.

What are the key properties of N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?

N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 539.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 144895083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).