(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

C26H28N6O5S — CID 66954089

IUPAC(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
SMILESCOc1ccc2nccc(N3C[C@H](CNC[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)[C@H](O)C3)c2n1
InChIInChI=1S/C26H28N6O5S/c1-36-24-5-3-18-25(30-24)20(6-7-28-18)31-11-15(21(33)13-31)9-27-10-17-12-32(26(35)37-17)16-2-4-22-19(8-16)29-23(34)14-38-22/h2-8,15,17,21,27,33H,9-14H2,1H3,(H,29,34)/t15-,17+,21+/m0/s1
InChIKeyOFJOSNSKSNGOBP-LUQKVYGDSA-N
MW536.61 g/mol
LogP2.09
Rot. Bonds7

About (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

(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 (PubChem CID 66954089) has the molecular formula C26H28N6O5S and a molecular weight of 536.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID66954089
Molecular FormulaC26H28N6O5S
Molecular Weight536.61 g/mol
Exact Mass536.18
IUPAC Name(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
SMILESCOc1ccc2nccc(N3C[C@H](CNC[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)[C@H](O)C3)c2n1
InChIInChI=1S/C26H28N6O5S/c1-36-24-5-3-18-25(30-24)20(6-7-28-18)31-11-15(21(33)13-31)9-27-10-17-12-32(26(35)37-17)16-2-4-22-19(8-16)29-23(34)14-38-22/h2-8,15,17,21,27,33H,9-14H2,1H3,(H,29,34)/t15-,17+,21+/m0/s1
InChIKeyOFJOSNSKSNGOBP-LUQKVYGDSA-N
XLogP2.09
TPSA129.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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-[[[(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-[[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
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
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
(5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 44633948
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
(2S)-2-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737319
5-[[[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66953673
5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954092
5-[[[[(3R,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954332
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2nccc(N3C[C@H](CNC[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)[C@H](O)C3)c2n1.
What is the InChIKey of (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?
The InChIKey is OFJOSNSKSNGOBP-LUQKVYGDSA-N. The full InChI is InChI=1S/C26H28N6O5S/c1-36-24-5-3-18-25(30-24)20(6-7-28-18)31-11-15(21(33)13-31)9-27-10-17-12-32(26(35)37-17)16-2-4-22-19(8-16)29-23(34)14-38-22/h2-8,15,17,21,27,33H,9-14H2,1H3,(H,29,34)/t15-,17+,21+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 536.61 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 66954089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).