2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

C44H40N10O4S2 — CID 161230158

IUPAC2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCCNC(=O)c1c(=O)c2cccnc2n2c1sc1ccccc12.CN1CCN(c2ccc3c(=O)c(C(=O)NCCc4cnccn4)c4sc5ccccc5n4c3n2)CC1
InChIInChI=1S/C26H25N7O2S.C18H15N3O2S/c1-31-12-14-32(15-13-31)21-7-6-18-23(34)22(25(35)29-9-8-17-16-27-10-11-28-17)26-33(24(18)30-21)19-4-2-3-5-20(19)36-26;1-2-9-20-17(23)14-15(22)11-6-5-10-19-16(11)21-12-7-3-4-8-13(12)24-18(14)21/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,29,35);3-8,10H,2,9H2,1H3,(H,20,23)
InChIKeyUYQKQWCNKFXBKJ-UHFFFAOYSA-N
MW837.00 g/mol
LogP5.78
Rot. Bonds8

About 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 161230158) has the molecular formula C44H40N10O4S2 and a molecular weight of 837.00 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID161230158
Molecular FormulaC44H40N10O4S2
Molecular Weight837.00 g/mol
Exact Mass836.27
IUPAC Name2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCCNC(=O)c1c(=O)c2cccnc2n2c1sc1ccccc12.CN1CCN(c2ccc3c(=O)c(C(=O)NCCc4cnccn4)c4sc5ccccc5n4c3n2)CC1
InChIInChI=1S/C26H25N7O2S.C18H15N3O2S/c1-31-12-14-32(15-13-31)21-7-6-18-23(34)22(25(35)29-9-8-17-16-27-10-11-28-17)26-33(24(18)30-21)19-4-2-3-5-20(19)36-26;1-2-9-20-17(23)14-15(22)11-6-5-10-19-16(11)21-12-7-3-4-8-13(12)24-18(14)21/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,29,35);3-8,10H,2,9H2,1H3,(H,20,23)
InChIKeyUYQKQWCNKFXBKJ-UHFFFAOYSA-N
XLogP5.78
TPSA159.20 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500837.00
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[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 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (CID 161230158) is 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is CCCNC(=O)c1c(=O)c2cccnc2n2c1sc1ccccc12.CN1CCN(c2ccc3c(=O)c(C(=O)NCCc4cnccn4)c4sc5ccccc5n4c3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is UYQKQWCNKFXBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2S.C18H15N3O2S/c1-31-12-14-32(15-13-31)21-7-6-18-23(34)22(25(35)29-9-8-17-16-27-10-11-28-17)26-33(24(18)30-21)19-4-2-3-5-20(19)36-26;1-2-9-20-17(23)14-15(22)11-6-5-10-19-16(11)21-12-7-3-4-8-13(12)24-18(14)21/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,29,35);3-8,10H,2,9H2,1H3,(H,20,23).
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 837.00 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-oxo-N-(2-pyrazin-2-ylethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;5-oxo-N-propyl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 161230158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).