6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C23H26N6O3S — CID 11705404

IUPAC6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc(CCN3C[C@@H](O)[C@@H](NCc4ccc5c(n4)NC(=O)CS5)C3)c2n1
InChIInChI=1S/C23H26N6O3S/c1-32-21-5-3-16-22(28-21)14(6-8-24-16)7-9-29-11-17(18(30)12-29)25-10-15-2-4-19-23(26-15)27-20(31)13-33-19/h2-6,8,17-18,25,30H,7,9-13H2,1H3,(H,26,27,31)/t17-,18+/m0/s1
InChIKeyAVGGIIBQBYPUHU-ZWKOTPCHSA-N
MW466.57 g/mol
LogP1.46
Rot. Bonds7

About 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 11705404) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID11705404
Molecular FormulaC23H26N6O3S
Molecular Weight466.57 g/mol
Exact Mass466.18
IUPAC Name6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc(CCN3C[C@@H](O)[C@@H](NCc4ccc5c(n4)NC(=O)CS5)C3)c2n1
InChIInChI=1S/C23H26N6O3S/c1-32-21-5-3-16-22(28-21)14(6-8-24-16)7-9-29-11-17(18(30)12-29)25-10-15-2-4-19-23(26-15)27-20(31)13-33-19/h2-6,8,17-18,25,30H,7,9-13H2,1H3,(H,26,27,31)/t17-,18+/m0/s1
InChIKeyAVGGIIBQBYPUHU-ZWKOTPCHSA-N
XLogP1.46
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 11705404) is 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2nccc(CCN3C[C@@H](O)[C@@H](NCc4ccc5c(n4)NC(=O)CS5)C3)c2n1.
What is the InChIKey of 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is AVGGIIBQBYPUHU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-32-21-5-3-16-22(28-21)14(6-8-24-16)7-9-29-11-17(18(30)12-29)25-10-15-2-4-19-23(26-15)27-20(31)13-33-19/h2-6,8,17-18,25,30H,7,9-13H2,1H3,(H,26,27,31)/t17-,18+/m0/s1.
What are the key properties of 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 466.57 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 11705404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).