2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide

C93H97F15N12O15 — CID 165017694

About 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide

2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide (PubChem CID 165017694) has the molecular formula C93H97F15N12O15 and a molecular weight of 1907.84 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide
• PubChem CID: 165017694
• Molecular Formula: C93H97F15N12O15
• Molecular Weight: 1907.84 g/mol
• Exact Mass: 1906.70
• IUPAC Name: 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide
• SMILES: CC(=O)[C@H](Cc1ccc(-c2nc(C)c(C)n(C)c2=O)c2c1CCCO2)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C)n(C)c(=O)n(C)c3=O)c3c2OCCO3)C(C)=O)c(F)c1)C(F)(F)F.CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)c(C)n(C)c3=O)c3c2CCCO3)C(C)=O)c(F)c1)C(F)(F)F
• InChI: InChI=1S/C32H33F5N4O5.C31H33F5N4O4.C30H31F5N4O6/c1-16-17(2)40(4)31(44)28(38-16)22-8-7-19(21-6-5-10-46-29(21)22)12-25(18(3)42)39-30(43)27-23(33)13-20(14-24(27)34)41-9-11-45-15-26(41)32(35,36)37;1-6-25(31(34,35)36)38-19-13-22(32)26(23(33)14-19)29(42)39-24(17(4)41)12-18-9-10-21(28-20(18)8-7-11-44-28)27-30(43)40(5)16(3)15(2)37-27;1-6-22(30(33,34)35)36-17-12-19(31)24(20(32)13-17)27(41)37-21(15(3)40)11-16-7-8-18(26-25(16)44-9-10-45-26)23-14(2)38(4)29(43)39(5)28(23)42/h7-8,13-14,25-26H,5-6,9-12,15H2,1-4H3,(H,39,43);9-10,13-14,24-25,38H,6-8,11-12H2,1-5H3,(H,39,42);7-8,12-13,21-22,36H,6,9-11H2,1-5H3,(H,37,41)/t25-,26+;24-,25+;21-,22+/m000/s1
• InChIKey: KRIVDUBTEMUPDR-NGEWBCGUSA-N
• XLogP: 13.51
• TPSA: 325.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.84
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide (CID 165017694) is 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide is CC(=O)[C@H](Cc1ccc(-c2nc(C)c(C)n(C)c2=O)c2c1CCCO2)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C)n(C)c(=O)n(C)c3=O)c3c2OCCO3)C(C)=O)c(F)c1)C(F)(F)F.CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)c(C)n(C)c3=O)c3c2CCCO3)C(C)=O)c(F)c1)C(F)(F)F.

What is the InChIKey of 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide?

The InChIKey is KRIVDUBTEMUPDR-NGEWBCGUSA-N. The full InChI is InChI=1S/C32H33F5N4O5.C31H33F5N4O4.C30H31F5N4O6/c1-16-17(2)40(4)31(44)28(38-16)22-8-7-19(21-6-5-10-46-29(21)22)12-25(18(3)42)39-30(43)27-23(33)13-20(14-24(27)34)41-9-11-45-15-26(41)32(35,36)37;1-6-25(31(34,35)36)38-19-13-22(32)26(23(33)14-19)29(42)39-24(17(4)41)12-18-9-10-21(28-20(18)8-7-11-44-28)27-30(43)40(5)16(3)15(2)37-27;1-6-22(30(33,34)35)36-17-12-19(31)24(20(32)13-17)27(41)37-21(15(3)40)11-16-7-8-18(26-25(16)44-9-10-45-26)23-14(2)38(4)29(43)39(5)28(23)42/h7-8,13-14,25-26H,5-6,9-12,15H2,1-4H3,(H,39,43);9-10,13-14,24-25,38H,6-8,11-12H2,1-5H3,(H,39,42);7-8,12-13,21-22,36H,6,9-11H2,1-5H3,(H,37,41)/t25-,26+;24-,25+;21-,22+/m000/s1.

What are the key properties of 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide?

2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide has a molecular weight of 1907.84 g/mol, XLogP of 13.51, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide is sourced from PubChem (CID 165017694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).