sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide

C73H64F14N13NaO10S2 — CID 158281193

About sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide

sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide (PubChem CID 158281193) has the molecular formula C73H64F14N13NaO10S2 and a molecular weight of 1636.49 g/mol. Its IUPAC name is sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide.

Molecular Properties

• Compound Name: sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide
• PubChem CID: 158281193
• Molecular Formula: C73H64F14N13NaO10S2
• Molecular Weight: 1636.49 g/mol
• Exact Mass: 1635.40
• IUPAC Name: sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide
• SMILES: CC(=O)Nc1cnc([C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)c(-c2cccc3c(CS(C)(=O)=O)nn(C)c23)c1.CC(=O)Nc1cnc([C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)c(-c2cccc3c(N(C(C)=O)S(C)(=O)=O)nn(C)c23)c1.[Na+].[OH-]
• InChI: InChI=1S/C37H32F7N7O5S.C36H31F7N6O4S.Na.H2O/c1-17(52)46-23-13-27(25-6-5-7-26-32(25)49(3)48-35(26)51(18(2)53)57(4,55)56)31(45-15-23)20(8-19-9-21(38)12-22(39)10-19)11-24(54)16-50-34-30(33(47-50)37(42,43)44)28-14-29(28)36(34,40)41;1-17(50)45-22-12-26(24-5-4-6-25-29(16-54(3,52)53)46-48(2)32(24)25)31(44-14-22)19(7-18-8-20(37)11-21(38)9-18)10-23(51)15-49-34-30(33(47-49)36(41,42)43)27-13-28(27)35(34,39)40;;/h5-7,9-10,12-13,15,20,28-29H,8,11,14,16H2,1-4H3,(H,46,52);4-6,8-9,11-12,14,19,27-28H,7,10,13,15-16H2,1-3H3,(H,45,50);;1H2/q;;+1;/p-1/t20-,28+,29-;19-,27+,28-;;/m11../s1
• InChIKey: GKFPUFXVDWXWML-PAPGXKHMSA-M
• XLogP: 10.25
• TPSA: 307.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.49
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide?

The IUPAC name of sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide (CID 158281193) is sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide.

What is the SMILES notation for sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide?

The canonical SMILES for sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide is CC(=O)Nc1cnc([C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)c(-c2cccc3c(CS(C)(=O)=O)nn(C)c23)c1.CC(=O)Nc1cnc([C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)c(-c2cccc3c(N(C(C)=O)S(C)(=O)=O)nn(C)c23)c1.[Na+].[OH-].

What is the InChIKey of sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide?

The InChIKey is GKFPUFXVDWXWML-PAPGXKHMSA-M. The full InChI is InChI=1S/C37H32F7N7O5S.C36H31F7N6O4S.Na.H2O/c1-17(52)46-23-13-27(25-6-5-7-26-32(25)49(3)48-35(26)51(18(2)53)57(4,55)56)31(45-15-23)20(8-19-9-21(38)12-22(39)10-19)11-24(54)16-50-34-30(33(47-50)37(42,43)44)28-14-29(28)36(34,40)41;1-17(50)45-22-12-26(24-5-4-6-25-29(16-54(3,52)53)46-48(2)32(24)25)31(44-14-22)19(7-18-8-20(37)11-21(38)9-18)10-23(51)15-49-34-30(33(47-49)36(41,42)43)27-13-28(27)35(34,39)40;;/h5-7,9-10,12-13,15,20,28-29H,8,11,14,16H2,1-4H3,(H,46,52);4-6,8-9,11-12,14,19,27-28H,7,10,13,15-16H2,1-3H3,(H,45,50);;1H2/q;;+1;/p-1/t20-,28+,29-;19-,27+,28-;;/m11../s1.

What are the key properties of sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide?

sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide has a molecular weight of 1636.49 g/mol, XLogP of 10.25, 22 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[5-[3-[acetyl(methylsulfonyl)amino]-1-methylindazol-7-yl]-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]acetamide;N-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-3-pyridinyl]acetamide;hydroxide is sourced from PubChem (CID 158281193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).