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

C24H27FN6O3S — CID 10217776

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5c(n4)NC(=O)CS5)C(F)C3)c2n1
InChIInChI=1S/C24H27FN6O3S/c1-34-22-5-3-18-23(30-22)15(6-8-26-18)19(32)12-31-9-7-17(16(25)11-31)27-10-14-2-4-20-24(28-14)29-21(33)13-35-20/h2-6,8,16-17,19,27,32H,7,9-13H2,1H3,(H,28,29,33)/t16?,17?,19-/m0/s1
InChIKeyIMAKDUDCBKFQRX-TVPLGVNVSA-N
MW498.58 g/mol
LogP2.31
Rot. Bonds7

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

6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 10217776) has the molecular formula C24H27FN6O3S and a molecular weight of 498.58 g/mol. Its IUPAC name is 6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID10217776
Molecular FormulaC24H27FN6O3S
Molecular Weight498.58 g/mol
Exact Mass498.18
IUPAC Name6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5c(n4)NC(=O)CS5)C(F)C3)c2n1
InChIInChI=1S/C24H27FN6O3S/c1-34-22-5-3-18-23(30-22)15(6-8-26-18)19(32)12-31-9-7-17(16(25)11-31)27-10-14-2-4-20-24(28-14)29-21(33)13-35-20/h2-6,8,16-17,19,27,32H,7,9-13H2,1H3,(H,28,29,33)/t16?,17?,19-/m0/s1
InChIKeyIMAKDUDCBKFQRX-TVPLGVNVSA-N
XLogP2.31
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-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-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 10217776) is 6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5c(n4)NC(=O)CS5)C(F)C3)c2n1.
What is the InChIKey of 6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is IMAKDUDCBKFQRX-TVPLGVNVSA-N. The full InChI is InChI=1S/C24H27FN6O3S/c1-34-22-5-3-18-23(30-22)15(6-8-26-18)19(32)12-31-9-7-17(16(25)11-31)27-10-14-2-4-20-24(28-14)29-21(33)13-35-20/h2-6,8,16-17,19,27,32H,7,9-13H2,1H3,(H,28,29,33)/t16?,17?,19-/m0/s1.
What are the key properties of 6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 498.58 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 10217776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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