N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide

C26H26F6N6O4 — CID 118378209

About N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide

N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide (PubChem CID 118378209) has the molecular formula C26H26F6N6O4 and a molecular weight of 600.52 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide
• PubChem CID: 118378209
• Molecular Formula: C26H26F6N6O4
• Molecular Weight: 600.52 g/mol
• Exact Mass: 600.19
• IUPAC Name: N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide
• SMILES: CC(O)(COc1ccnc(C(F)(F)F)n1)c1cnc(OCCF)nc1C1CCN(C(=O)Nc2c(F)cccc2F)CC1
• InChI: InChI=1S/C26H26F6N6O4/c1-25(40,14-42-19-5-9-33-22(35-19)26(30,31)32)16-13-34-23(41-12-8-27)36-20(16)15-6-10-38(11-7-15)24(39)37-21-17(28)3-2-4-18(21)29/h2-5,9,13,15,40H,6-8,10-12,14H2,1H3,(H,37,39)
• InChIKey: ADLGNOUNMZAJIO-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 122.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.52
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide?

The IUPAC name of N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide (CID 118378209) is N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide is CC(O)(COc1ccnc(C(F)(F)F)n1)c1cnc(OCCF)nc1C1CCN(C(=O)Nc2c(F)cccc2F)CC1.

What is the InChIKey of N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide?

The InChIKey is ADLGNOUNMZAJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F6N6O4/c1-25(40,14-42-19-5-9-33-22(35-19)26(30,31)32)16-13-34-23(41-12-8-27)36-20(16)15-6-10-38(11-7-15)24(39)37-21-17(28)3-2-4-18(21)29/h2-5,9,13,15,40H,6-8,10-12,14H2,1H3,(H,37,39).

What are the key properties of N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide?

N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide has a molecular weight of 600.52 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-4-[2-(2-fluoroethoxy)-5-[2-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118378209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).