(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane

C123H125N17O24 — CID 159184281

About (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane

(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane (PubChem CID 159184281) has the molecular formula C123H125N17O24 and a molecular weight of 2225.45 g/mol. Its IUPAC name is (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane.

Molecular Properties

• Compound Name: (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane
• PubChem CID: 159184281
• Molecular Formula: C123H125N17O24
• Molecular Weight: 2225.45 g/mol
• Exact Mass: 2223.91
• IUPAC Name: (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane
• SMILES: CC.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CC3CCNCC3)cc2)c(O)cc1O.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(Cc3ccncc3)cc2)c(O)cc1O.CCc1c2c(nc3ccc(OC(=O)N4CCC(Cc5ccc(-n6c(-c7cc(C(C)C)c(O)cc7O)n[nH]c6=O)cc5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC.CCc1c2c(nc3ccc(OC(=O)Oc4ccc([N+](=O)[O-])cc4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC
• InChI: InChI=1S/C46H46N6O9.C29H23N3O9.C23H28N4O3.C23H22N4O3.C2H6/c1-5-29-31-18-28(11-12-36(31)47-40-33(29)22-51-37(40)20-35-34(42(51)55)23-60-43(56)46(35,59)6-2)61-45(58)50-15-13-26(14-16-50)17-25-7-9-27(10-8-25)52-41(48-49-44(52)57)32-19-30(24(3)4)38(53)21-39(32)54;1-3-18-19-11-17(41-28(35)40-16-7-5-15(6-8-16)32(37)38)9-10-23(19)30-25-20(18)13-31-24(25)12-22-21(26(31)33)14-39-27(34)29(22,36)4-2;2*1-14(2)18-12-19(21(29)13-20(18)28)22-25-26-23(30)27(22)17-5-3-15(4-6-17)11-16-7-9-24-10-8-16;1-2/h7-12,18-21,24,26,53-54,59H,5-6,13-17,22-23H2,1-4H3,(H,49,57);5-12,36H,3-4,13-14H2,1-2H3;3-6,12-14,16,24,28-29H,7-11H2,1-2H3,(H,26,30);3-10,12-14,28-29H,11H2,1-2H3,(H,26,30);1-2H3
• InChIKey: KNHBOTJGWWSMQA-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 569.39 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2225.45
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane?

The IUPAC name of (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane (CID 159184281) is (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane.

What is the SMILES notation for (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane?

The canonical SMILES for (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane is CC.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CC3CCNCC3)cc2)c(O)cc1O.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(Cc3ccncc3)cc2)c(O)cc1O.CCc1c2c(nc3ccc(OC(=O)N4CCC(Cc5ccc(-n6c(-c7cc(C(C)C)c(O)cc7O)n[nH]c6=O)cc5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC.CCc1c2c(nc3ccc(OC(=O)Oc4ccc([N+](=O)[O-])cc4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC.

What is the InChIKey of (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane?

The InChIKey is KNHBOTJGWWSMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N6O9.C29H23N3O9.C23H28N4O3.C23H22N4O3.C2H6/c1-5-29-31-18-28(11-12-36(31)47-40-33(29)22-51-37(40)20-35-34(42(51)55)23-60-43(56)46(35,59)6-2)61-45(58)50-15-13-26(14-16-50)17-25-7-9-27(10-8-25)52-41(48-49-44(52)57)32-19-30(24(3)4)38(53)21-39(32)54;1-3-18-19-11-17(41-28(35)40-16-7-5-15(6-8-16)32(37)38)9-10-23(19)30-25-20(18)13-31-24(25)12-22-21(26(31)33)14-39-27(34)29(22,36)4-2;2*1-14(2)18-12-19(21(29)13-20(18)28)22-25-26-23(30)27(22)17-5-3-15(4-6-17)11-16-7-9-24-10-8-16;1-2/h7-12,18-21,24,26,53-54,59H,5-6,13-17,22-23H2,1-4H3,(H,49,57);5-12,36H,3-4,13-14H2,1-2H3;3-6,12-14,16,24,28-29H,7-11H2,1-2H3,(H,26,30);3-10,12-14,28-29H,11H2,1-2H3,(H,26,30);1-2H3.

What are the key properties of (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane?

(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane has a molecular weight of 2225.45 g/mol, XLogP of 18.38, 23 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylate;(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) (4-nitrophenyl) carbonate;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;ethane is sourced from PubChem (CID 159184281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).