N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

C25H25N7O2S — CID 25257784

IUPACN-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCN(c2ccc3c(=O)c(C(=O)NCc4cn(C)cn4)c4sc5ccccc5n4c3n2)CC1
InChIInChI=1S/C25H25N7O2S/c1-29-9-11-31(12-10-29)20-8-7-17-22(33)21(24(34)26-13-16-14-30(2)15-27-16)25-32(23(17)28-20)18-5-3-4-6-19(18)35-25/h3-8,14-15H,9-13H2,1-2H3,(H,26,34)
InChIKeyBWBMWKQXCGFUBM-UHFFFAOYSA-N
MW487.59 g/mol
LogP2.48
Rot. Bonds4

About N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 25257784) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID25257784
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC NameN-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCN(c2ccc3c(=O)c(C(=O)NCc4cn(C)cn4)c4sc5ccccc5n4c3n2)CC1
InChIInChI=1S/C25H25N7O2S/c1-29-9-11-31(12-10-29)20-8-7-17-22(33)21(24(34)26-13-16-14-30(2)15-27-16)25-32(23(17)28-20)18-5-3-4-6-19(18)35-25/h3-8,14-15H,9-13H2,1-2H3,(H,26,34)
InChIKeyBWBMWKQXCGFUBM-UHFFFAOYSA-N
XLogP2.48
TPSA87.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 25257093
N-[2-(methylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 146563614
5-fluoro-1H-pyrimidine-2,4-dione;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
CID 172869519
2-(4-acetylpiperazin-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 59516580
2-morpholin-4-yl-5-oxo-N-(2-sulfanyloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 143786781
5-imino-2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-methylimino-N-[(5-methylpyrazin-2-yl)methyl]-[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-propan-2-ylimino-[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-propylimino-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 160670088
ethane;5-oxo-N-(2-pyrrolidin-1-ylethyl)-2-(2-pyrrolidin-1-ylethylamino)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 143205190
N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 25101784
3-fluoro-N-(3-hydroxypropyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 53379221
4-[ethyl(methyl)amino]-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
CID 143205191
N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 143786783
2-(2-hydroxyethylamino)-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 59516479

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (CID 25257784) is N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is CN1CCN(c2ccc3c(=O)c(C(=O)NCc4cn(C)cn4)c4sc5ccccc5n4c3n2)CC1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is BWBMWKQXCGFUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-29-9-11-31(12-10-29)20-8-7-17-22(33)21(24(34)26-13-16-14-30(2)15-27-16)25-32(23(17)28-20)18-5-3-4-6-19(18)35-25/h3-8,14-15H,9-13H2,1-2H3,(H,26,34).
What are the key properties of N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 25257784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).