sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide

C69H93IN17NaO11 — CID 159768551

About sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide

sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide (PubChem CID 159768551) has the molecular formula C69H93IN17NaO11 and a molecular weight of 1486.50 g/mol. Its IUPAC name is sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide.

Molecular Properties

• Compound Name: sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide
• PubChem CID: 159768551
• Molecular Formula: C69H93IN17NaO11
• Molecular Weight: 1486.50 g/mol
• Exact Mass: 1485.62
• IUPAC Name: sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide
• SMILES: CC(C)I.CC(C)n1cnc(C(=O)N2CCC(NC(=O)c3ccc4[nH]c5c(c4c3)C(C)(C)CC(C)(C)C5=O)C2)n1.CC(C)n1cnc(C(=O)[O-])n1.CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.COC(=O)c1ncn(C(C)C)n1.COC(=O)c1ncn[nH]1.[Na+]
• InChI: InChI=1S/C27H34N6O3.C22H28N2O2.C7H11N3O2.C6H9N3O2.C4H5N3O2.C3H7I.Na/c1-15(2)33-14-28-23(31-33)25(36)32-10-9-17(12-32)29-24(35)16-7-8-19-18(11-16)20-21(30-19)22(34)27(5,6)13-26(20,3)4;1-21(2)12-22(3,4)19(25)18-17(21)15-11-13(9-10-16(15)24-18)20(26)23-14-7-5-6-8-14;1-5(2)10-4-8-6(9-10)7(11)12-3;1-4(2)9-3-7-5(8-9)6(10)11;1-9-4(8)3-5-2-6-7-3;1-3(2)4;/h7-8,11,14-15,17,30H,9-10,12-13H2,1-6H3,(H,29,35);9-11,14,24H,5-8,12H2,1-4H3,(H,23,26);4-5H,1-3H3;3-4H,1-2H3,(H,10,11);2H,1H3,(H,5,6,7);3H,1-2H3;/q;;;;;;+1/p-1
• InChIKey: XFMCWRUHHACDIQ-UHFFFAOYSA-M
• XLogP: 6.90
• TPSA: 370.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1486.50
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide?

The IUPAC name of sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide (CID 159768551) is sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide.

What is the SMILES notation for sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide?

The canonical SMILES for sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide is CC(C)I.CC(C)n1cnc(C(=O)N2CCC(NC(=O)c3ccc4[nH]c5c(c4c3)C(C)(C)CC(C)(C)C5=O)C2)n1.CC(C)n1cnc(C(=O)[O-])n1.CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.COC(=O)c1ncn(C(C)C)n1.COC(=O)c1ncn[nH]1.[Na+].

What is the InChIKey of sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide?

The InChIKey is XFMCWRUHHACDIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H34N6O3.C22H28N2O2.C7H11N3O2.C6H9N3O2.C4H5N3O2.C3H7I.Na/c1-15(2)33-14-28-23(31-33)25(36)32-10-9-17(12-32)29-24(35)16-7-8-19-18(11-16)20-21(30-19)22(34)27(5,6)13-26(20,3)4;1-21(2)12-22(3,4)19(25)18-17(21)15-11-13(9-10-16(15)24-18)20(26)23-14-7-5-6-8-14;1-5(2)10-4-8-6(9-10)7(11)12-3;1-4(2)9-3-7-5(8-9)6(10)11;1-9-4(8)3-5-2-6-7-3;1-3(2)4;/h7-8,11,14-15,17,30H,9-10,12-13H2,1-6H3,(H,29,35);9-11,14,24H,5-8,12H2,1-4H3,(H,23,26);4-5H,1-3H3;3-4H,1-2H3,(H,10,11);2H,1H3,(H,5,6,7);3H,1-2H3;/q;;;;;;+1/p-1.

What are the key properties of sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide?

sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide has a molecular weight of 1486.50 g/mol, XLogP of 6.90, 11 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-iodopropane;methyl 1-propan-2-yl-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1-propan-2-yl-1,2,4-triazole-3-carboxylate;5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide is sourced from PubChem (CID 159768551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).