N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide

C93H106F4N16O13 — CID 157323481

About N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide

N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 157323481) has the molecular formula C93H106F4N16O13 and a molecular weight of 1731.96 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide
• PubChem CID: 157323481
• Molecular Formula: C93H106F4N16O13
• Molecular Weight: 1731.96 g/mol
• Exact Mass: 1730.81
• IUPAC Name: N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide
• SMILES: Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC(C)CC(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC(C)CC(=O)N1CCCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(C)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(C)C(=O)N1CCOCC1
• InChI: InChI=1S/C25H29FN4O3.C24H27FN4O4.2C22H25FN4O3/c1-14(11-22(31)30-9-5-4-6-10-30)27-25(33)23-15(2)21(28-16(23)3)13-19-18-12-17(26)7-8-20(18)29-24(19)32;1-13(24(32)29-6-8-33-9-7-29)12-26-23(31)21-14(2)20(27-15(21)3)11-18-17-10-16(25)4-5-19(17)28-22(18)30;1-11(22(30)27(4)5)10-24-21(29)19-12(2)18(25-13(19)3)9-16-15-8-14(23)6-7-17(15)26-20(16)28;1-11(8-19(28)27(4)5)24-22(30)20-12(2)18(25-13(20)3)10-16-15-9-14(23)6-7-17(15)26-21(16)29/h7-8,12-14,28H,4-6,9-11H2,1-3H3,(H,27,33)(H,29,32);4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,31)(H,28,30);6-9,11,25H,10H2,1-5H3,(H,24,29)(H,26,28);6-7,9-11,25H,8H2,1-5H3,(H,24,30)(H,26,29)/b19-13-;18-11-;16-9-;16-10-
• InChIKey: BELGHBMOVMCMAJ-AZMYZWHLSA-N
• XLogP: 11.85
• TPSA: 386.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1731.96
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide (CID 157323481) is N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC(C)CC(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC(C)CC(=O)N1CCCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(C)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(C)C(=O)N1CCOCC1.

What is the InChIKey of N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide?

The InChIKey is BELGHBMOVMCMAJ-AZMYZWHLSA-N. The full InChI is InChI=1S/C25H29FN4O3.C24H27FN4O4.2C22H25FN4O3/c1-14(11-22(31)30-9-5-4-6-10-30)27-25(33)23-15(2)21(28-16(23)3)13-19-18-12-17(26)7-8-20(18)29-24(19)32;1-13(24(32)29-6-8-33-9-7-29)12-26-23(31)21-14(2)20(27-15(21)3)11-18-17-10-16(25)4-5-19(17)28-22(18)30;1-11(22(30)27(4)5)10-24-21(29)19-12(2)18(25-13(19)3)9-16-15-8-14(23)6-7-17(15)26-20(16)28;1-11(8-19(28)27(4)5)24-22(30)20-12(2)18(25-13(20)3)10-16-15-9-14(23)6-7-17(15)26-21(16)29/h7-8,12-14,28H,4-6,9-11H2,1-3H3,(H,27,33)(H,29,32);4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,31)(H,28,30);6-9,11,25H,10H2,1-5H3,(H,24,29)(H,26,28);6-7,9-11,25H,8H2,1-5H3,(H,24,30)(H,26,29)/b19-13-;18-11-;16-9-;16-10-.

What are the key properties of N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide?

N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 1731.96 g/mol, XLogP of 11.85, 20 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[4-(dimethylamino)-4-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutan-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 157323481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).