(2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid

C138H184F8N22O27S2 — CID 167573746

About (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid

(2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid (PubChem CID 167573746) has the molecular formula C138H184F8N22O27S2 and a molecular weight of 2799.23 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid
• PubChem CID: 167573746
• Molecular Formula: C138H184F8N22O27S2
• Molecular Weight: 2799.23 g/mol
• Exact Mass: 2797.30
• IUPAC Name: (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid
• SMILES: C[C@@H]1CN(c2cc(F)c(-c3ccc(N4CCN(C(=O)CCC(=O)O)CC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC(=O)CCOCCOCCOCCOCCOCCN)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CCN(c3ccc(-c4cc(NC(=O)c5c[nH]c(=O)cc5C(F)(F)F)c(N5C[C@@H](C)N(C)[C@@H](C)C5)cc4F)cn3)CC2)C(C)(C)C)cc1
• InChI: InChI=1S/C69H91F4N11O13S.C36H56N4O9S.C33H37F4N7O5/c1-44-40-83(41-45(2)80(44)7)58-36-56(70)52(34-57(58)79-65(90)53-39-76-62(88)35-54(53)69(71,72)73)49-12-13-60(75-38-49)81-18-20-82(21-19-81)63(89)15-14-61(87)74-17-23-94-25-27-96-29-31-97-30-28-95-26-24-93-22-16-50(85)32-55(68(4,5)6)67(92)84-42-51(86)33-59(84)66(91)77-37-47-8-10-48(11-9-47)64-46(3)78-43-98-64;1-26-33(50-25-39-26)28-7-5-27(6-8-28)23-38-34(43)32-22-30(42)24-40(32)35(44)31(36(2,3)4)21-29(41)9-11-45-13-15-47-17-19-49-20-18-48-16-14-46-12-10-37;1-19-17-44(18-20(2)41(19)3)27-14-25(34)22(12-26(27)40-32(49)23-16-39-29(45)13-24(23)33(35,36)37)21-4-5-28(38-15-21)42-8-10-43(11-9-42)30(46)6-7-31(47)48/h8-13,34-36,38-39,43-45,51,55,59,86H,14-33,37,40-42H2,1-7H3,(H,74,87)(H,76,88)(H,77,91)(H,79,90);5-8,25,30-32,42H,9-24,37H2,1-4H3,(H,38,43);4-5,12-16,19-20H,6-11,17-18H2,1-3H3,(H,39,45)(H,40,49)(H,47,48)/t44-,45+,51-,55-,59+;30-,31-,32+;19-,20+/m11./s1
• InChIKey: GGFTXNLQDALOLX-CNMREBPPSA-N
• XLogP: 13.36
• TPSA: 593.68 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 65
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2799.23
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid?

The IUPAC name of (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid (CID 167573746) is (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid.

What is the SMILES notation for (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid?

The canonical SMILES for (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid is C[C@@H]1CN(c2cc(F)c(-c3ccc(N4CCN(C(=O)CCC(=O)O)CC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC(=O)CCOCCOCCOCCOCCOCCN)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CCN(c3ccc(-c4cc(NC(=O)c5c[nH]c(=O)cc5C(F)(F)F)c(N5C[C@@H](C)N(C)[C@@H](C)C5)cc4F)cn3)CC2)C(C)(C)C)cc1.

What is the InChIKey of (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid?

The InChIKey is GGFTXNLQDALOLX-CNMREBPPSA-N. The full InChI is InChI=1S/C69H91F4N11O13S.C36H56N4O9S.C33H37F4N7O5/c1-44-40-83(41-45(2)80(44)7)58-36-56(70)52(34-57(58)79-65(90)53-39-76-62(88)35-54(53)69(71,72)73)49-12-13-60(75-38-49)81-18-20-82(21-19-81)63(89)15-14-61(87)74-17-23-94-25-27-96-29-31-97-30-28-95-26-24-93-22-16-50(85)32-55(68(4,5)6)67(92)84-42-51(86)33-59(84)66(91)77-37-47-8-10-48(11-9-47)64-46(3)78-43-98-64;1-26-33(50-25-39-26)28-7-5-27(6-8-28)23-38-34(43)32-22-30(42)24-40(32)35(44)31(36(2,3)4)21-29(41)9-11-45-13-15-47-17-19-49-20-18-48-16-14-46-12-10-37;1-19-17-44(18-20(2)41(19)3)27-14-25(34)22(12-26(27)40-32(49)23-16-39-29(45)13-24(23)33(35,36)37)21-4-5-28(38-15-21)42-8-10-43(11-9-42)30(46)6-7-31(47)48/h8-13,34-36,38-39,43-45,51,55,59,86H,14-33,37,40-42H2,1-7H3,(H,74,87)(H,76,88)(H,77,91)(H,79,90);5-8,25,30-32,42H,9-24,37H2,1-4H3,(H,38,43);4-5,12-16,19-20H,6-11,17-18H2,1-3H3,(H,39,45)(H,40,49)(H,47,48)/t44-,45+,51-,55-,59+;30-,31-,32+;19-,20+/m11./s1.

What are the key properties of (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid?

(2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid has a molecular weight of 2799.23 g/mol, XLogP of 13.36, 65 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-[(2S)-6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-tert-butyl-4-oxohexanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[4-fluoro-5-[6-[4-[4-[2-[2-[2-[2-[2-[(5S)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-6,6-dimethyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-2-pyridinyl]piperazin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 167573746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).