6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride

C97H138Cl2F3N15O16 — CID 158322540

About 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride

6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride (PubChem CID 158322540) has the molecular formula C97H138Cl2F3N15O16 and a molecular weight of 1898.16 g/mol. Its IUPAC name is 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride
• PubChem CID: 158322540
• Molecular Formula: C97H138Cl2F3N15O16
• Molecular Weight: 1898.16 g/mol
• Exact Mass: 1895.98
• IUPAC Name: 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride
• SMILES: CC(C)(C)OC(=O)NCCCCCCO.CCN(CC)CCN(C(=O)Cl)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCN(CC)CCN(C(=O)OCCCCCCN)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCN(CC)CCN(C(=O)OCCCCCCNC(=O)OC(C)(C)C)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cl
• InChI: InChI=1S/C34H48FN5O6.C29H40FN5O4.C23H26ClFN4O3.C11H23NO3.ClH/c1-8-39(9-2)17-18-40(33(44)45-19-13-11-10-12-16-36-32(43)46-34(5,6)7)31(42)29-22(3)28(37-23(29)4)21-26-25-20-24(35)14-15-27(25)38-30(26)41;1-5-34(6-2)14-15-35(29(38)39-16-10-8-7-9-13-31)28(37)26-19(3)25(32-20(26)4)18-23-22-17-21(30)11-12-24(22)33-27(23)36;1-5-28(6-2)9-10-29(23(24)32)22(31)20-13(3)19(26-14(20)4)12-17-16-11-15(25)7-8-18(16)27-21(17)30;1-11(2,3)15-10(14)12-8-6-4-5-7-9-13;/h14-15,20-21,37H,8-13,16-19H2,1-7H3,(H,36,43)(H,38,41);11-12,17-18,32H,5-10,13-16,31H2,1-4H3,(H,33,36);7-8,11-12,26H,5-6,9-10H2,1-4H3,(H,27,30);13H,4-9H2,1-3H3,(H,12,14);1H/b26-21-;23-18-;17-12-
• InChIKey: JTWPUKZCJMBRDV-YBDVCQOPSA-N
• XLogP: 17.86
• TPSA: 397.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 40
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.16
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride?

The IUPAC name of 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride (CID 158322540) is 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride.

What is the SMILES notation for 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride?

The canonical SMILES for 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCCCCCCO.CCN(CC)CCN(C(=O)Cl)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCN(CC)CCN(C(=O)OCCCCCCN)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCN(CC)CCN(C(=O)OCCCCCCNC(=O)OC(C)(C)C)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cl.

What is the InChIKey of 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride?

The InChIKey is JTWPUKZCJMBRDV-YBDVCQOPSA-N. The full InChI is InChI=1S/C34H48FN5O6.C29H40FN5O4.C23H26ClFN4O3.C11H23NO3.ClH/c1-8-39(9-2)17-18-40(33(44)45-19-13-11-10-12-16-36-32(43)46-34(5,6)7)31(42)29-22(3)28(37-23(29)4)21-26-25-20-24(35)14-15-27(25)38-30(26)41;1-5-34(6-2)14-15-35(29(38)39-16-10-8-7-9-13-31)28(37)26-19(3)25(32-20(26)4)18-23-22-17-21(30)11-12-24(22)33-27(23)36;1-5-28(6-2)9-10-29(23(24)32)22(31)20-13(3)19(26-14(20)4)12-17-16-11-15(25)7-8-18(16)27-21(17)30;1-11(2,3)15-10(14)12-8-6-4-5-7-9-13;/h14-15,20-21,37H,8-13,16-19H2,1-7H3,(H,36,43)(H,38,41);11-12,17-18,32H,5-10,13-16,31H2,1-4H3,(H,33,36);7-8,11-12,26H,5-6,9-10H2,1-4H3,(H,27,30);13H,4-9H2,1-3H3,(H,12,14);1H/b26-21-;23-18-;17-12-;;.

What are the key properties of 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride?

6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride has a molecular weight of 1898.16 g/mol, XLogP of 17.86, 40 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-aminohexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;tert-butyl N-(6-hydroxyhexyl)carbamate;N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl chloride;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;hydrochloride is sourced from PubChem (CID 158322540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).