N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C141H133N23O18 — CID 158683531

About N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 158683531) has the molecular formula C141H133N23O18 and a molecular weight of 2437.76 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

• Compound Name: N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
• PubChem CID: 158683531
• Molecular Formula: C141H133N23O18
• Molecular Weight: 2437.76 g/mol
• Exact Mass: 2436.02
• IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
• SMILES: C=CC(=O)N1CCOc2ccc(CC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)cc21.C=CC(=O)N1Cc2cccc(CC(=O)c3ccc4cc5n(c4c3)CCNC5=O)c2C1.C=CC(=O)NC1CCCC1CC(=O)c1ccc2cc3n(c2c1)CCNC3=O.C=CC(=O)Nc1cc(CC(=O)c2ccc3cc4n(c3c2)CCNC4=O)ccc1N1CCN(C)CC1.C=CC(=O)Nc1cccc2[nH]c(-c3ccc4cc5n(c4c3)CCNC5=O)nc12.C=CC(=O)Nc1ccncc1CC(=O)c1ccc2cc3n(c2c1)CCNC3=O
• InChI: InChI=1S/C27H29N5O3.C27H25N3O4.C24H21N3O3.C21H17N5O2.C21H18N4O3.C21H23N3O3/c1-3-26(34)29-21-14-18(4-7-22(21)31-12-10-30(2)11-13-31)15-25(33)20-6-5-19-16-24-27(35)28-8-9-32(24)23(19)17-20;1-2-25(32)29-10-11-34-24-7-4-17(12-21(24)29)13-23(31)19-6-5-18-14-22-26(33)28-16-27(8-3-9-27)30(22)20(18)15-19;1-2-23(29)26-13-18-5-3-4-15(19(18)14-26)12-22(28)17-7-6-16-10-21-24(30)25-8-9-27(21)20(16)11-17;1-2-18(27)23-14-4-3-5-15-19(14)25-20(24-15)13-7-6-12-10-17-21(28)22-8-9-26(17)16(12)11-13;1-2-20(27)24-16-5-6-22-12-15(16)11-19(26)14-4-3-13-9-18-21(28)23-7-8-25(18)17(13)10-14;1-2-20(26)23-16-5-3-4-13(16)12-19(25)15-7-6-14-10-18-21(27)22-8-9-24(18)17(14)11-15/h3-7,14,16-17H,1,8-13,15H2,2H3,(H,28,35)(H,29,34);2,4-7,12,14-15H,1,3,8-11,13,16H2,(H,28,33);2-7,10-11H,1,8-9,12-14H2,(H,25,30);2-7,10-11H,1,8-9H2,(H,22,28)(H,23,27)(H,24,25);2-6,9-10,12H,1,7-8,11H2,(H,23,28)(H,22,24,27);2,6-7,10-11,13,16H,1,3-5,8-9,12H2,(H,22,27)(H,23,26)
• InChIKey: IFLBVTBYILQTPO-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 503.83 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2437.76
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 158683531) is N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is C=CC(=O)N1CCOc2ccc(CC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)cc21.C=CC(=O)N1Cc2cccc(CC(=O)c3ccc4cc5n(c4c3)CCNC5=O)c2C1.C=CC(=O)NC1CCCC1CC(=O)c1ccc2cc3n(c2c1)CCNC3=O.C=CC(=O)Nc1cc(CC(=O)c2ccc3cc4n(c3c2)CCNC4=O)ccc1N1CCN(C)CC1.C=CC(=O)Nc1cccc2[nH]c(-c3ccc4cc5n(c4c3)CCNC5=O)nc12.C=CC(=O)Nc1ccncc1CC(=O)c1ccc2cc3n(c2c1)CCNC3=O.

What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

The InChIKey is IFLBVTBYILQTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3.C27H25N3O4.C24H21N3O3.C21H17N5O2.C21H18N4O3.C21H23N3O3/c1-3-26(34)29-21-14-18(4-7-22(21)31-12-10-30(2)11-13-31)15-25(33)20-6-5-19-16-24-27(35)28-8-9-32(24)23(19)17-20;1-2-25(32)29-10-11-34-24-7-4-17(12-21(24)29)13-23(31)19-6-5-18-14-22-26(33)28-16-27(8-3-9-27)30(22)20(18)15-19;1-2-23(29)26-13-18-5-3-4-15(19(18)14-26)12-22(28)17-7-6-16-10-21-24(30)25-8-9-27(21)20(16)11-17;1-2-18(27)23-14-4-3-5-15-19(14)25-20(24-15)13-7-6-12-10-17-21(28)22-8-9-26(17)16(12)11-13;1-2-20(27)24-16-5-6-22-12-15(16)11-19(26)14-4-3-13-9-18-21(28)23-7-8-25(18)17(13)10-14;1-2-20(26)23-16-5-3-4-13(16)12-19(25)15-7-6-14-10-18-21(27)22-8-9-24(18)17(14)11-15/h3-7,14,16-17H,1,8-13,15H2,2H3,(H,28,35)(H,29,34);2,4-7,12,14-15H,1,3,8-11,13,16H2,(H,28,33);2-7,10-11H,1,8-9,12-14H2,(H,25,30);2-7,10-11H,1,8-9H2,(H,22,28)(H,23,27)(H,24,25);2-6,9-10,12H,1,7-8,11H2,(H,23,28)(H,22,24,27);2,6-7,10-11,13,16H,1,3-5,8-9,12H2,(H,22,27)(H,23,26).

What are the key properties of N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 2437.76 g/mol, XLogP of 16.94, 27 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 158683531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).