N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate

C101H109FN18O23S3 — CID 157142223

About N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate

N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate (PubChem CID 157142223) has the molecular formula C101H109FN18O23S3 and a molecular weight of 2058.28 g/mol. Its IUPAC name is N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate.

Molecular Properties

• Compound Name: N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate
• PubChem CID: 157142223
• Molecular Formula: C101H109FN18O23S3
• Molecular Weight: 2058.28 g/mol
• Exact Mass: 2056.71
• IUPAC Name: N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate
• SMILES: CC(C)COC(=O)Nc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12.CCOC(=O)CCCNC(=O)Nc1ncc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NS(C)(=O)=O)cccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cn(S(C)(=O)=O)c2c(NS(C)(=O)=O)cccc12
• InChI: InChI=1S/C27H29FN6O6.C27H30N4O5.C24H26N4O7S2.C23H24N4O5S/c1-2-40-20(35)9-6-10-29-27(39)32-24-22-21(19(28)16-31-24)18(15-30-22)23(36)26(38)34-13-11-33(12-14-34)25(37)17-7-4-3-5-8-17;1-17(2)16-36-27(35)29-22-11-7-10-20-21(14-28-23(20)22)24(32)26(34)31-13-12-30(15-18(31)3)25(33)19-8-5-4-6-9-19;1-16-14-26(23(30)17-8-5-4-6-9-17)12-13-27(16)24(31)22(29)19-15-28(37(3,34)35)21-18(19)10-7-11-20(21)25-36(2,32)33;1-15-14-26(22(29)16-7-4-3-5-8-16)11-12-27(15)23(30)21(28)18-13-24-20-17(18)9-6-10-19(20)25-33(2,31)32/h3-5,7-8,15-16,30H,2,6,9-14H2,1H3,(H2,29,31,32,39);4-11,14,17-18,28H,12-13,15-16H2,1-3H3,(H,29,35);4-11,15-16,25H,12-14H2,1-3H3;3-10,13,15,24-25H,11-12,14H2,1-2H3/t;18-;16-;15-/m.111/s1
• InChIKey: AKHWYSWHVBXGDY-YDHSDBKTSA-N
• XLogP: 9.73
• TPSA: 528.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.28
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate?

The IUPAC name of N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate (CID 157142223) is N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate.

What is the SMILES notation for N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate?

The canonical SMILES for N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate is CC(C)COC(=O)Nc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12.CCOC(=O)CCCNC(=O)Nc1ncc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NS(C)(=O)=O)cccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cn(S(C)(=O)=O)c2c(NS(C)(=O)=O)cccc12.

What is the InChIKey of N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate?

The InChIKey is AKHWYSWHVBXGDY-YDHSDBKTSA-N. The full InChI is InChI=1S/C27H29FN6O6.C27H30N4O5.C24H26N4O7S2.C23H24N4O5S/c1-2-40-20(35)9-6-10-29-27(39)32-24-22-21(19(28)16-31-24)18(15-30-22)23(36)26(38)34-13-11-33(12-14-34)25(37)17-7-4-3-5-8-17;1-17(2)16-36-27(35)29-22-11-7-10-20-21(14-28-23(20)22)24(32)26(34)31-13-12-30(15-18(31)3)25(33)19-8-5-4-6-9-19;1-16-14-26(23(30)17-8-5-4-6-9-17)12-13-27(16)24(31)22(29)19-15-28(37(3,34)35)21-18(19)10-7-11-20(21)25-36(2,32)33;1-15-14-26(22(29)16-7-4-3-5-8-16)11-12-27(15)23(30)21(28)18-13-24-20-17(18)9-6-10-19(20)25-33(2,31)32/h3-5,7-8,15-16,30H,2,6,9-14H2,1H3,(H2,29,31,32,39);4-11,14,17-18,28H,12-13,15-16H2,1-3H3,(H,29,35);4-11,15-16,25H,12-14H2,1-3H3;3-10,13,15,24-25H,11-12,14H2,1-2H3/t;18-;16-;15-/m.111/s1.

What are the key properties of N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate?

N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate has a molecular weight of 2058.28 g/mol, XLogP of 9.73, 26 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]methanesulfonamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1-methylsulfonylindol-7-yl]methanesulfonamide;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]carbamoylamino]butanoate;2-methylpropyl N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamate is sourced from PubChem (CID 157142223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).