[4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid

C126H131F3N24O17 — CID 163543597

About [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid

[4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid (PubChem CID 163543597) has the molecular formula C126H131F3N24O17 and a molecular weight of 2310.58 g/mol. Its IUPAC name is [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid.

Molecular Properties

• Compound Name: [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid
• PubChem CID: 163543597
• Molecular Formula: C126H131F3N24O17
• Molecular Weight: 2310.58 g/mol
• Exact Mass: 2309.01
• IUPAC Name: [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid
• SMILES: CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2OC)n1-c1ccc(CN2CCN(C(=O)Cc3ccc(OC(=O)N4CCN(c5ccc(-n6c(=O)n(C)c7cnc8ccc(-c9ccc(OC)nc9)cc8c76)cc5C(F)(F)F)CC4)cc3)CC2)cc1.CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2OC)n1-c1ccc(CN2CCNCC2)cc1.COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCN(C(=O)Oc5ccc(CC(=O)O)cc5)CC3)c(C)c2)c(=O)n4C)cn1
• InChI: InChI=1S/C63H63F3N12O8.C37H34N6O6.C26H34N6O3/c1-7-67-60(81)59-71-70-58(48-33-46(38(2)3)53(79)34-54(48)84-5)78(59)43-14-8-40(9-15-43)37-73-22-24-75(25-23-73)56(80)30-39-10-17-45(18-11-39)86-62(83)76-28-26-74(27-29-76)51-20-16-44(32-49(51)63(64,65)66)77-57-47-31-41(42-13-21-55(85-6)69-35-42)12-19-50(47)68-36-52(57)72(4)61(77)82;1-23-18-27(8-12-31(23)41-14-16-42(17-15-41)37(47)49-28-9-4-24(5-10-28)19-34(44)45)43-35-29-20-25(26-7-13-33(48-3)39-21-26)6-11-30(29)38-22-32(35)40(2)36(43)46;1-5-28-26(34)25-30-29-24(21-14-20(17(2)3)22(33)15-23(21)35-4)32(25)19-8-6-18(7-9-19)16-31-12-10-27-11-13-31/h8-21,31-36,38,79H,7,22-30,37H2,1-6H3,(H,67,81);4-13,18,20-22H,14-17,19H2,1-3H3,(H,44,45);6-9,14-15,17,27,33H,5,10-13,16H2,1-4H3,(H,28,34)
• InChIKey: FDDKHKRUVHRXDU-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 444.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2310.58
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid?

The IUPAC name of [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid (CID 163543597) is [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid.

What is the SMILES notation for [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid?

The canonical SMILES for [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid is CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2OC)n1-c1ccc(CN2CCN(C(=O)Cc3ccc(OC(=O)N4CCN(c5ccc(-n6c(=O)n(C)c7cnc8ccc(-c9ccc(OC)nc9)cc8c76)cc5C(F)(F)F)CC4)cc3)CC2)cc1.CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2OC)n1-c1ccc(CN2CCNCC2)cc1.COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCN(C(=O)Oc5ccc(CC(=O)O)cc5)CC3)c(C)c2)c(=O)n4C)cn1.

What is the InChIKey of [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid?

The InChIKey is FDDKHKRUVHRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H63F3N12O8.C37H34N6O6.C26H34N6O3/c1-7-67-60(81)59-71-70-58(48-33-46(38(2)3)53(79)34-54(48)84-5)78(59)43-14-8-40(9-15-43)37-73-22-24-75(25-23-73)56(80)30-39-10-17-45(18-11-39)86-62(83)76-28-26-74(27-29-76)51-20-16-44(32-49(51)63(64,65)66)77-57-47-31-41(42-13-21-55(85-6)69-35-42)12-19-50(47)68-36-52(57)72(4)61(77)82;1-23-18-27(8-12-31(23)41-14-16-42(17-15-41)37(47)49-28-9-4-24(5-10-28)19-34(44)45)43-35-29-20-25(26-7-13-33(48-3)39-21-26)6-11-30(29)38-22-32(35)40(2)36(43)46;1-5-28-26(34)25-30-29-24(21-14-20(17(2)3)22(33)15-23(21)35-4)32(25)19-8-6-18(7-9-19)16-31-12-10-27-11-13-31/h8-21,31-36,38,79H,7,22-30,37H2,1-6H3,(H,67,81);4-13,18,20-22H,14-17,19H2,1-3H3,(H,44,45);6-9,14-15,17,27,33H,5,10-13,16H2,1-4H3,(H,28,34).

What are the key properties of [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid?

[4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid has a molecular weight of 2310.58 g/mol, XLogP of 17.14, 30 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[4-[[4-[3-(ethylcarbamoyl)-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl] 4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;N-ethyl-5-(4-hydroxy-2-methoxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;2-[4-[4-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-methylphenyl]piperazine-1-carbonyl]oxyphenyl]acetic acid is sourced from PubChem (CID 163543597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).