2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide

C131H141F2N31O12S5 — CID 158111750

About 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide

2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide (PubChem CID 158111750) has the molecular formula C131H141F2N31O12S5 and a molecular weight of 2540.10 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide.

Molecular Properties

• Compound Name: 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide
• PubChem CID: 158111750
• Molecular Formula: C131H141F2N31O12S5
• Molecular Weight: 2540.10 g/mol
• Exact Mass: 2537.99
• IUPAC Name: 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide
• SMILES: CC(=O)N1CCN(c2ccc3c(=O)c(C(=O)NCCN4CCCC4)c4n(C)c5ccccc5n4c3n2)CC1.CC(=O)N1CCN(c2ncc3c(=O)c(C(=O)NCCN4CCCC4)c4sc5ccccc5n4c3n2)CC1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)NCCN2CCCC2)c2sc4ccccc4n23)C1.O=C(NCCN1CCCC1)c1c(=O)c2cc(F)c(SCCc3cnccn3)cc2n2c1sc1ccccc12.O=C(NCCN1CCCC1)c1c(=O)c2cnc(N3CCCC3)nc2n2c1sc1ccccc12
• InChI: InChI=1S/C28H26FN5O2S2.C28H33N7O3.C26H29N7O3S.C25H27FN6O2S.C24H26N6O2S/c29-20-15-19-22(16-24(20)37-14-7-18-17-30-8-9-31-18)34-21-5-1-2-6-23(21)38-28(34)25(26(19)35)27(36)32-10-13-33-11-3-4-12-33;1-19(36)33-15-17-34(18-16-33)23-10-9-20-25(37)24(27(38)29-11-14-32-12-5-6-13-32)28-31(2)21-7-3-4-8-22(21)35(28)26(20)30-23;1-17(34)31-12-14-32(15-13-31)26-28-16-18-22(35)21(24(36)27-8-11-30-9-4-5-10-30)25-33(23(18)29-26)19-6-2-3-7-20(19)37-25;26-17-13-16-21(33)20(24(34)28-8-12-30-9-3-4-10-30)25-32(18-5-1-2-6-19(18)35-25)22(16)29-23(17)31-11-7-15(27)14-31;31-20-16-15-26-24(29-12-5-6-13-29)27-21(16)30-17-7-1-2-8-18(17)33-23(30)19(20)22(32)25-9-14-28-10-3-4-11-28/h1-2,5-6,8-9,15-17H,3-4,7,10-14H2,(H,32,36);3-4,7-10H,5-6,11-18H2,1-2H3,(H,29,38);2-3,6-7,16H,4-5,8-15H2,1H3,(H,27,36);1-2,5-6,13,15H,3-4,7-12,14,27H2,(H,28,34);1-2,7-8,15H,3-6,9-14H2,(H,25,32)
• InChIKey: FQNFFLIOGSDFKX-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 456.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 28
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2540.10
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide?

The IUPAC name of 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide (CID 158111750) is 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide.

What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide?

The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide is CC(=O)N1CCN(c2ccc3c(=O)c(C(=O)NCCN4CCCC4)c4n(C)c5ccccc5n4c3n2)CC1.CC(=O)N1CCN(c2ncc3c(=O)c(C(=O)NCCN4CCCC4)c4sc5ccccc5n4c3n2)CC1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)NCCN2CCCC2)c2sc4ccccc4n23)C1.O=C(NCCN1CCCC1)c1c(=O)c2cc(F)c(SCCc3cnccn3)cc2n2c1sc1ccccc12.O=C(NCCN1CCCC1)c1c(=O)c2cnc(N3CCCC3)nc2n2c1sc1ccccc12.

What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide?

The InChIKey is FQNFFLIOGSDFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2S2.C28H33N7O3.C26H29N7O3S.C25H27FN6O2S.C24H26N6O2S/c29-20-15-19-22(16-24(20)37-14-7-18-17-30-8-9-31-18)34-21-5-1-2-6-23(21)38-28(34)25(26(19)35)27(36)32-10-13-33-11-3-4-12-33;1-19(36)33-15-17-34(18-16-33)23-10-9-20-25(37)24(27(38)29-11-14-32-12-5-6-13-32)28-31(2)21-7-3-4-8-22(21)35(28)26(20)30-23;1-17(34)31-12-14-32(15-13-31)26-28-16-18-22(35)21(24(36)27-8-11-30-9-4-5-10-30)25-33(23(18)29-26)19-6-2-3-7-20(19)37-25;26-17-13-16-21(33)20(24(34)28-8-12-30-9-3-4-10-30)25-32(18-5-1-2-6-19(18)35-25)22(16)29-23(17)31-11-7-15(27)14-31;31-20-16-15-26-24(29-12-5-6-13-29)27-21(16)30-17-7-1-2-8-18(17)33-23(30)19(20)22(32)25-9-14-28-10-3-4-11-28/h1-2,5-6,8-9,15-17H,3-4,7,10-14H2,(H,32,36);3-4,7-10H,5-6,11-18H2,1-2H3,(H,29,38);2-3,6-7,16H,4-5,8-15H2,1H3,(H,27,36);1-2,5-6,13,15H,3-4,7-12,14,27H2,(H,28,34);1-2,7-8,15H,3-6,9-14H2,(H,25,32).

What are the key properties of 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide?

2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide has a molecular weight of 2540.10 g/mol, XLogP of 13.99, 28 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-(4-acetylpiperazin-1-yl)-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide;2-(3-aminopyrrolidin-1-yl)-3-fluoro-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxamide;8-oxo-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide is sourced from PubChem (CID 158111750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).