1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol

C19H17FN4O3S — CID 139508405

IUPAC1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol
SMILESCOc1cnc2c(-c3nc4cc(F)c(OCC(C)O)nc4s3)cc(C)cc2n1
InChIInChI=1S/C19H17FN4O3S/c1-9-4-11(16-13(5-9)22-15(26-3)7-21-16)18-23-14-6-12(20)17(24-19(14)28-18)27-8-10(2)25/h4-7,10,25H,8H2,1-3H3
InChIKeyZBQQZNOYUVJBPB-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.52
Rot. Bonds5

About 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol

1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol (PubChem CID 139508405) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol
PubChem CID139508405
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol
SMILESCOc1cnc2c(-c3nc4cc(F)c(OCC(C)O)nc4s3)cc(C)cc2n1
InChIInChI=1S/C19H17FN4O3S/c1-9-4-11(16-13(5-9)22-15(26-3)7-21-16)18-23-14-6-12(20)17(24-19(14)28-18)27-8-10(2)25/h4-7,10,25H,8H2,1-3H3
InChIKeyZBQQZNOYUVJBPB-UHFFFAOYSA-N
XLogP3.52
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol
CID 134181600
ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate
CID 153325099
[(2R)-1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-yl] N-[2-(hydroxymethyl)pyrimidin-5-yl]carbamate
CID 134181539
[(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-(2-methoxypyrimidin-5-yl)carbamate
CID 139522514
(2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]propan-1-ol
CID 134180418
[(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[2-(hydroxymethyl)-4-pyridinyl]carbamate
CID 139522708
[(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[5-(2-hydroxyethoxy)-3-pyridinyl]carbamate
CID 139522556
[(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-(2-hydroxy-2-methylpropyl)-3-pyridinyl]carbamate
CID 139522535
[(2R)-1-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]propan-2-yl]-(2-methylpyrimidin-5-yl)carbamic acid
CID 155057773
methyl 5-[[(2R,3S)-3-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]pentan-2-yl]oxycarbonylamino]pyrimidine-2-carboxylate
CID 145443748
1-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]propan-2-yl-(2-methoxypyrimidin-5-yl)carbamic acid
CID 155057706
2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
CID 134174723

Frequently Asked Questions

What is the IUPAC name of 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol?
The IUPAC name of 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol (CID 139508405) is 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol.
What is the SMILES notation for 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol?
The canonical SMILES for 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol is COc1cnc2c(-c3nc4cc(F)c(OCC(C)O)nc4s3)cc(C)cc2n1.
What is the InChIKey of 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol?
The InChIKey is ZBQQZNOYUVJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-9-4-11(16-13(5-9)22-15(26-3)7-21-16)18-23-14-6-12(20)17(24-19(14)28-18)27-8-10(2)25/h4-7,10,25H,8H2,1-3H3.
What are the key properties of 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol?
1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol has a molecular weight of 400.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol is sourced from PubChem (CID 139508405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).