6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C25H27FN6O3S — CID 59130265

IUPAC6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3C[C@H]4CC(NCc5ccc6c(n5)NC(=O)CS6)[C@@H](C3)O4)c2n1
InChIInChI=1S/C25H27FN6O3S/c1-34-23-5-3-18-24(31-23)16(17(26)10-28-18)6-7-32-11-15-8-19(20(12-32)35-15)27-9-14-2-4-21-25(29-14)30-22(33)13-36-21/h2-5,10,15,19-20,27H,6-9,11-13H2,1H3,(H,29,30,33)/t15-,19?,20-/m1/s1
InChIKeyNBLUBHNHCMIMJH-CSKFVBRQSA-N
MW510.60 g/mol
LogP2.39
Rot. Bonds7

About 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 59130265) has the molecular formula C25H27FN6O3S and a molecular weight of 510.60 g/mol. Its IUPAC name is 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID59130265
Molecular FormulaC25H27FN6O3S
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3C[C@H]4CC(NCc5ccc6c(n5)NC(=O)CS6)[C@@H](C3)O4)c2n1
InChIInChI=1S/C25H27FN6O3S/c1-34-23-5-3-18-24(31-23)16(17(26)10-28-18)6-7-32-11-15-8-19(20(12-32)35-15)27-9-14-2-4-21-25(29-14)30-22(33)13-36-21/h2-5,10,15,19-20,27H,6-9,11-13H2,1H3,(H,29,30,33)/t15-,19?,20-/m1/s1
InChIKeyNBLUBHNHCMIMJH-CSKFVBRQSA-N
XLogP2.39
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 59130265) is 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2ncc(F)c(CCN3C[C@H]4CC(NCc5ccc6c(n5)NC(=O)CS6)[C@@H](C3)O4)c2n1.
What is the InChIKey of 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is NBLUBHNHCMIMJH-CSKFVBRQSA-N. The full InChI is InChI=1S/C25H27FN6O3S/c1-34-23-5-3-18-24(31-23)16(17(26)10-28-18)6-7-32-11-15-8-19(20(12-32)35-15)27-9-14-2-4-21-25(29-14)30-22(33)13-36-21/h2-5,10,15,19-20,27H,6-9,11-13H2,1H3,(H,29,30,33)/t15-,19?,20-/m1/s1.
What are the key properties of 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 510.60 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 59130265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).