(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C25H26N6O4S — CID 25097708

IUPAC(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(N3CCN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)CC3)c2n1
InChIInChI=1S/C25H26N6O4S/c1-34-23-5-3-18-24(28-23)20(6-7-26-18)30-10-8-29(9-11-30)13-17-14-31(25(33)35-17)16-2-4-21-19(12-16)27-22(32)15-36-21/h2-7,12,17H,8-11,13-15H2,1H3,(H,27,32)/t17-/m1/s1
InChIKeyFXMWCWWSZBJPFA-QGZVFWFLSA-N
MW506.59 g/mol
LogP2.83
Rot. Bonds5

About (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 25097708) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
PubChem CID25097708
Molecular FormulaC25H26N6O4S
Molecular Weight506.59 g/mol
Exact Mass506.17
IUPAC Name(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(N3CCN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)CC3)c2n1
InChIInChI=1S/C25H26N6O4S/c1-34-23-5-3-18-24(28-23)20(6-7-26-18)30-10-8-29(9-11-30)13-17-14-31(25(33)35-17)16-2-4-21-19(12-16)27-22(32)15-36-21/h2-7,12,17H,8-11,13-15H2,1H3,(H,27,32)/t17-/m1/s1
InChIKeyFXMWCWWSZBJPFA-QGZVFWFLSA-N
XLogP2.83
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-5-[[[(3R)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25096186
(5R)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25096691
(5R)-5-[[[(3S,4S)-4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954089
5-[[(3aR)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,3,3a,4-tetrahydropyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66953646
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 25097709
5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 66954338
5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 66954527
(5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 142764078
ethyl (3S,4R)-1-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]pyrrolidine-3-carboxylate
CID 66954515
ethyl (3S,4R)-1-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]pyrrolidine-3-carboxylate
CID 66954516
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 25097429
3-(6-methoxy-1,5-naphthyridin-4-yl)-N-[[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 66736403

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 25097708) is (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc(N3CCN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)CC3)c2n1.
What is the InChIKey of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is FXMWCWWSZBJPFA-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-34-23-5-3-18-24(28-23)20(6-7-26-18)30-10-8-29(9-11-30)13-17-14-31(25(33)35-17)16-2-4-21-19(12-16)27-22(32)15-36-21/h2-7,12,17H,8-11,13-15H2,1H3,(H,27,32)/t17-/m1/s1.
What are the key properties of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 506.59 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 25097708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).