2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C131H125F14N19O10S — CID 162175693

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 162175693) has the molecular formula C131H125F14N19O10S and a molecular weight of 2423.60 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• PubChem CID: 162175693
• Molecular Formula: C131H125F14N19O10S
• Molecular Weight: 2423.60 g/mol
• Exact Mass: 2421.94
• IUPAC Name: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• SMILES: CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccnc2C(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(C)C)cc2C(C)C)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(C)c(OCc4ccccc4)cc23)c1.O=C(Cn1nc(C(F)F)cc1C(F)F)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1
• InChI: InChI=1S/C39H34F2N4O3.C32H34F3N5O2.C31H29F6N5O3S.C29H28F3N5O2/c1-24-14-34-33(21-36(24)48-23-25-8-4-3-5-9-25)29(22-44-34)19-37(46)45-35(17-26-15-30(40)20-31(41)16-26)38-32(12-7-13-43-38)27-10-6-11-28(18-27)39(47)42-2;1-18(2)27-16-29(19(3)4)40(39-27)17-30(41)38-28(13-20-11-22(33)15-23(34)12-20)31-24(7-6-10-37-31)21-8-9-26(35)25(14-21)32(42)36-5;32-21-13-19(14-22(33)16-21)15-25(39-28(43)18-42-27(31(36)37)17-26(40-42)30(34)35)29-24(5-4-10-38-29)20-6-8-23(9-7-20)46(44,45)41-11-2-1-3-12-41;1-17(2)28-35-9-10-37(28)16-26(38)36-25(13-18-11-20(30)15-21(31)12-18)27-22(5-4-8-34-27)19-6-7-24(32)23(14-19)29(39)33-3/h3-16,18,20-22,35,44H,17,19,23H2,1-2H3,(H,42,47)(H,45,46);6-12,14-16,18-19,28H,13,17H2,1-5H3,(H,36,42)(H,38,41);4-10,13-14,16-17,25,30-31H,1-3,11-12,15,18H2,(H,39,43);4-12,14-15,17,25H,13,16H2,1-3H3,(H,33,39)(H,36,38)/t35-;28-;2*25-/m0000/s1
• InChIKey: ZOJDTWXTSZUBLR-WLCMSYMRSA-N
• XLogP: 24.79
• TPSA: 371.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 41
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.60
LogP ≤ 5	24.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 162175693) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccnc2C(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(C)C)cc2C(C)C)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(C)c(OCc4ccccc4)cc23)c1.O=C(Cn1nc(C(F)F)cc1C(F)F)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1.

What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The InChIKey is ZOJDTWXTSZUBLR-WLCMSYMRSA-N. The full InChI is InChI=1S/C39H34F2N4O3.C32H34F3N5O2.C31H29F6N5O3S.C29H28F3N5O2/c1-24-14-34-33(21-36(24)48-23-25-8-4-3-5-9-25)29(22-44-34)19-37(46)45-35(17-26-15-30(40)20-31(41)16-26)38-32(12-7-13-43-38)27-10-6-11-28(18-27)39(47)42-2;1-18(2)27-16-29(19(3)4)40(39-27)17-30(41)38-28(13-20-11-22(33)15-23(34)12-20)31-24(7-6-10-37-31)21-8-9-26(35)25(14-21)32(42)36-5;32-21-13-19(14-22(33)16-21)15-25(39-28(43)18-42-27(31(36)37)17-26(40-42)30(34)35)29-24(5-4-10-38-29)20-6-8-23(9-7-20)46(44,45)41-11-2-1-3-12-41;1-17(2)28-35-9-10-37(28)16-26(38)36-25(13-18-11-20(30)15-21(31)12-18)27-22(5-4-8-34-27)19-6-7-24(32)23(14-19)29(39)33-3/h3-16,18,20-22,35,44H,17,19,23H2,1-2H3,(H,42,47)(H,45,46);6-12,14-16,18-19,28H,13,17H2,1-5H3,(H,36,42)(H,38,41);4-10,13-14,16-17,25,30-31H,1-3,11-12,15,18H2,(H,39,43);4-12,14-15,17,25H,13,16H2,1-3H3,(H,33,39)(H,36,38)/t35-;28-;2*25-/m0000/s1.

What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2423.60 g/mol, XLogP of 24.79, 41 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 162175693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).