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

C26H26N8O2S — CID 25101784

IUPACN-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCN(NC(=O)c2c(=O)c3ccc(N(C)Cc4cnccn4)nc3n3c2sc2ccccc23)CC1
InChIInChI=1S/C26H26N8O2S/c1-31-11-13-33(14-12-31)30-25(36)22-23(35)18-7-8-21(32(2)16-17-15-27-9-10-28-17)29-24(18)34-19-5-3-4-6-20(19)37-26(22)34/h3-10,15H,11-14,16H2,1-2H3,(H,30,36)
InChIKeyFZYZOFLXUZOAJZ-UHFFFAOYSA-N
MW514.62 g/mol
LogP2.38
Rot. Bonds5

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

N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 25101784) has the molecular formula C26H26N8O2S and a molecular weight of 514.62 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID25101784
Molecular FormulaC26H26N8O2S
Molecular Weight514.62 g/mol
Exact Mass514.19
IUPAC NameN-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCN(NC(=O)c2c(=O)c3ccc(N(C)Cc4cnccn4)nc3n3c2sc2ccccc23)CC1
InChIInChI=1S/C26H26N8O2S/c1-31-11-13-33(14-12-31)30-25(36)22-23(35)18-7-8-21(32(2)16-17-15-27-9-10-28-17)29-24(18)34-19-5-3-4-6-20(19)37-26(22)34/h3-10,15H,11-14,16H2,1-2H3,(H,30,36)
InChIKeyFZYZOFLXUZOAJZ-UHFFFAOYSA-N
XLogP2.38
TPSA98.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.62
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 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) is N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is CN1CCN(NC(=O)c2c(=O)c3ccc(N(C)Cc4cnccn4)nc3n3c2sc2ccccc23)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is FZYZOFLXUZOAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2S/c1-31-11-13-33(14-12-31)30-25(36)22-23(35)18-7-8-21(32(2)16-17-15-27-9-10-28-17)29-24(18)34-19-5-3-4-6-20(19)37-26(22)34/h3-10,15H,11-14,16H2,1-2H3,(H,30,36).
What are the key properties of N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 514.62 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 25101784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).