N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

C160H170N36O14S6 — CID 158045831

IUPACN-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCC(C)OCCNC(=O)c1c(=O)c2ccc(N3CCCN(C)CC3)nc2n2c1sc1ccccc12.CN1CCCN(c2ccc3c(=O)c(C(=O)NCc4ccccc4)c4sc5ccccc5n4c3n2)CC1.CN1CCCN(c2ccc3c(=O)c(C(=O)NCc4cncn4C)c4sc5ccccc5n4c3n2)CC1.COCCNC(=O)c1c(=O)c2ccc(N3CCCN(C)CC3)nc2n2c1sc1ccccc12.Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1.Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCNC(C(C)C)CC4)nc3n3c2sc2ccccc23)cn1
InChIInChI=1S/C29H31N7O2S.C28H27N5O2S.C27H27N7O2S.C26H27N7O2S.C26H31N5O3S.C24H27N5O3S/c1-17(2)21-10-12-35(13-11-30-21)24-9-8-20-26(37)25(28(38)33-16-19-15-31-18(3)14-32-19)29-36(27(20)34-24)22-6-4-5-7-23(22)39-29;1-31-14-7-15-32(17-16-31)23-13-12-20-25(34)24(27(35)29-18-19-8-3-2-4-9-19)28-33(26(20)30-23)21-10-5-6-11-22(21)36-28;1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34;1-30-10-5-11-32(13-12-30)21-9-8-18-23(34)22(25(35)28-15-17-14-27-16-31(17)2)26-33(24(18)29-21)19-6-3-4-7-20(19)36-26;1-17(2)34-16-11-27-25(33)22-23(32)18-9-10-21(30-13-6-12-29(3)14-15-30)28-24(18)31-19-7-4-5-8-20(19)35-26(22)31;1-27-11-5-12-28(14-13-27)19-9-8-16-21(30)20(23(31)25-10-15-32-2)24-29(22(16)26-19)17-6-3-4-7-18(17)33-24/h4-9,14-15,17,21,30H,10-13,16H2,1-3H3,(H,33,38);2-6,8-13H,7,14-18H2,1H3,(H,29,35);3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36);3-4,6-9,14,16H,5,10-13,15H2,1-2H3,(H,28,35);4-5,7-10,17H,6,11-16H2,1-3H3,(H,27,33);3-4,6-9H,5,10-15H2,1-2H3,(H,25,31)
InChIKeyFIXALVITDILGSI-UHFFFAOYSA-N
MW3013.76 g/mol
LogP20.09
Rot. Bonds28

About N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 158045831) has the molecular formula C160H170N36O14S6 and a molecular weight of 3013.76 g/mol. Its IUPAC name is N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID158045831
Molecular FormulaC160H170N36O14S6
Molecular Weight3013.76 g/mol
Exact Mass3011.20
IUPAC NameN-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCC(C)OCCNC(=O)c1c(=O)c2ccc(N3CCCN(C)CC3)nc2n2c1sc1ccccc12.CN1CCCN(c2ccc3c(=O)c(C(=O)NCc4ccccc4)c4sc5ccccc5n4c3n2)CC1.CN1CCCN(c2ccc3c(=O)c(C(=O)NCc4cncn4C)c4sc5ccccc5n4c3n2)CC1.COCCNC(=O)c1c(=O)c2ccc(N3CCCN(C)CC3)nc2n2c1sc1ccccc12.Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1.Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCNC(C(C)C)CC4)nc3n3c2sc2ccccc23)cn1
InChIInChI=1S/C29H31N7O2S.C28H27N5O2S.C27H27N7O2S.C26H27N7O2S.C26H31N5O3S.C24H27N5O3S/c1-17(2)21-10-12-35(13-11-30-21)24-9-8-20-26(37)25(28(38)33-16-19-15-31-18(3)14-32-19)29-36(27(20)34-24)22-6-4-5-7-23(22)39-29;1-31-14-7-15-32(17-16-31)23-13-12-20-25(34)24(27(35)29-18-19-8-3-2-4-9-19)28-33(26(20)30-23)21-10-5-6-11-22(21)36-28;1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34;1-30-10-5-11-32(13-12-30)21-9-8-18-23(34)22(25(35)28-15-17-14-27-16-31(17)2)26-33(24(18)29-21)19-6-3-4-7-20(19)36-26;1-17(2)34-16-11-27-25(33)22-23(32)18-9-10-21(30-13-6-12-29(3)14-15-30)28-24(18)31-19-7-4-5-8-20(19)35-26(22)31;1-27-11-5-12-28(14-13-27)19-9-8-16-21(30)20(23(31)25-10-15-32-2)24-29(22(16)26-19)17-6-3-4-7-18(17)33-24/h4-9,14-15,17,21,30H,10-13,16H2,1-3H3,(H,33,38);2-6,8-13H,7,14-18H2,1H3,(H,29,35);3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36);3-4,6-9,14,16H,5,10-13,15H2,1-2H3,(H,28,35);4-5,7-10,17H,6,11-16H2,1-3H3,(H,27,33);3-4,6-9H,5,10-15H2,1-2H3,(H,25,31)
InChIKeyFIXALVITDILGSI-UHFFFAOYSA-N
XLogP20.09
TPSA516.33 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds28
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003013.76
LogP ≤ 520.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (CID 158045831) is N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is CC(C)OCCNC(=O)c1c(=O)c2ccc(N3CCCN(C)CC3)nc2n2c1sc1ccccc12.CN1CCCN(c2ccc3c(=O)c(C(=O)NCc4ccccc4)c4sc5ccccc5n4c3n2)CC1.CN1CCCN(c2ccc3c(=O)c(C(=O)NCc4cncn4C)c4sc5ccccc5n4c3n2)CC1.COCCNC(=O)c1c(=O)c2ccc(N3CCCN(C)CC3)nc2n2c1sc1ccccc12.Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1.Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCNC(C(C)C)CC4)nc3n3c2sc2ccccc23)cn1.
What is the InChIKey of N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is FIXALVITDILGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2S.C28H27N5O2S.C27H27N7O2S.C26H27N7O2S.C26H31N5O3S.C24H27N5O3S/c1-17(2)21-10-12-35(13-11-30-21)24-9-8-20-26(37)25(28(38)33-16-19-15-31-18(3)14-32-19)29-36(27(20)34-24)22-6-4-5-7-23(22)39-29;1-31-14-7-15-32(17-16-31)23-13-12-20-25(34)24(27(35)29-18-19-8-3-2-4-9-19)28-33(26(20)30-23)21-10-5-6-11-22(21)36-28;1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34;1-30-10-5-11-32(13-12-30)21-9-8-18-23(34)22(25(35)28-15-17-14-27-16-31(17)2)26-33(24(18)29-21)19-6-3-4-7-20(19)36-26;1-17(2)34-16-11-27-25(33)22-23(32)18-9-10-21(30-13-6-12-29(3)14-15-30)28-24(18)31-19-7-4-5-8-20(19)35-26(22)31;1-27-11-5-12-28(14-13-27)19-9-8-16-21(30)20(23(31)25-10-15-32-2)24-29(22(16)26-19)17-6-3-4-7-18(17)33-24/h4-9,14-15,17,21,30H,10-13,16H2,1-3H3,(H,33,38);2-6,8-13H,7,14-18H2,1H3,(H,29,35);3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36);3-4,6-9,14,16H,5,10-13,15H2,1-2H3,(H,28,35);4-5,7-10,17H,6,11-16H2,1-3H3,(H,27,33);3-4,6-9H,5,10-15H2,1-2H3,(H,25,31).
What are the key properties of N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 3013.76 g/mol, XLogP of 20.09, 28 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 158045831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).