(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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol

C49H52N8O10 — CID 144926548

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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol

(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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol (PubChem CID 144926548) has the molecular formula C49H52N8O10 and a molecular weight of 913.00 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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol.

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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol
• PubChem CID: 144926548
• Molecular Formula: C49H52N8O10
• Molecular Weight: 913.00 g/mol
• Exact Mass: 912.38
• 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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol
• SMILES: CO.[H]/N=C(\c1cc(C(C)C)ccc1O)N(C(N)=O)c1ccc2c(c1)cc(C(=O)N1CCN(C(=O)Oc3ccc4nc5c(c(CC)c4c3)Cn3c-5cc4c(c3=O)COC(=O)C4(O)CC)CC1)n2C
• InChI: InChI=1S/C48H48N8O9.CH4O/c1-6-30-31-21-29(10-11-36(31)51-41-33(30)23-55-38(41)22-35-34(43(55)58)24-64-45(60)48(35,63)7-2)65-47(62)54-16-14-53(15-17-54)44(59)39-20-27-18-28(9-12-37(27)52(39)5)56(46(50)61)42(49)32-19-26(25(3)4)8-13-40(32)57;1-2/h8-13,18-22,25,49,57,63H,6-7,14-17,23-24H2,1-5H3,(H2,50,61);2H,1H3/b49-42+
• InChIKey: VPGGJSAQJQDLEX-SQVJFVQMSA-N
• XLogP: 5.44
• TPSA: 246.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.00
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol?

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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol (CID 144926548) 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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol.

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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol?

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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol is CO.[H]/N=C(\c1cc(C(C)C)ccc1O)N(C(N)=O)c1ccc2c(c1)cc(C(=O)N1CCN(C(=O)Oc3ccc4nc5c(c(CC)c4c3)Cn3c-5cc4c(c3=O)COC(=O)C4(O)CC)CC1)n2C.

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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol?

The InChIKey is VPGGJSAQJQDLEX-SQVJFVQMSA-N. The full InChI is InChI=1S/C48H48N8O9.CH4O/c1-6-30-31-21-29(10-11-36(31)51-41-33(30)23-55-38(41)22-35-34(43(55)58)24-64-45(60)48(35,63)7-2)65-47(62)54-16-14-53(15-17-54)44(59)39-20-27-18-28(9-12-37(27)52(39)5)56(46(50)61)42(49)32-19-26(25(3)4)8-13-40(32)57;1-2/h8-13,18-22,25,49,57,63H,6-7,14-17,23-24H2,1-5H3,(H2,50,61);2H,1H3/b49-42+;.

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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol?

(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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol has a molecular weight of 913.00 g/mol, XLogP of 5.44, 7 rotatable bonds, 5 hydrogen bond donors, and 14 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-[5-[carbamoyl-(2-hydroxy-5-propan-2-ylbenzenecarboximidoyl)amino]-1-methylindole-2-carbonyl]piperazine-1-carboxylate;methanol is sourced from PubChem (CID 144926548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).