N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide

C23H26F5N7O2S — CID 123942464

About N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide

N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 123942464) has the molecular formula C23H26F5N7O2S and a molecular weight of 559.57 g/mol. Its IUPAC name is N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
• PubChem CID: 123942464
• Molecular Formula: C23H26F5N7O2S
• Molecular Weight: 559.57 g/mol
• Exact Mass: 559.18
• IUPAC Name: N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(NC2=NCC(C(F)(F)F)N=C2)c1C(=O)Nc1ccc(OCC2CCN(CC(F)F)CC2)nc1
• InChI: InChI=1S/C23H26F5N7O2S/c1-13-20(22(38-34-13)33-18-10-29-16(9-30-18)23(26,27)28)21(36)32-15-2-3-19(31-8-15)37-12-14-4-6-35(7-5-14)11-17(24)25/h2-3,8,10,14,16-17H,4-7,9,11-12H2,1H3,(H,30,33)(H,32,36)
• InChIKey: GPEMXKDPODIBEA-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 104.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.57
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide?

The IUPAC name of N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide (CID 123942464) is N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide is Cc1nsc(NC2=NCC(C(F)(F)F)N=C2)c1C(=O)Nc1ccc(OCC2CCN(CC(F)F)CC2)nc1.

What is the InChIKey of N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide?

The InChIKey is GPEMXKDPODIBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F5N7O2S/c1-13-20(22(38-34-13)33-18-10-29-16(9-30-18)23(26,27)28)21(36)32-15-2-3-19(31-8-15)37-12-14-4-6-35(7-5-14)11-17(24)25/h2-3,8,10,14,16-17H,4-7,9,11-12H2,1H3,(H,30,33)(H,32,36).

What are the key properties of N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide?

N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 559.57 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 123942464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).