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

C20H17FN4O4S — CID 153325099

IUPACethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate
SMILESCCOC(=O)COc1nc2sc(-c3cc(C)cc4nc(OC)cnc34)nc2cc1F
InChIInChI=1S/C20H17FN4O4S/c1-4-28-16(26)9-29-18-12(21)7-14-20(25-18)30-19(24-14)11-5-10(2)6-13-17(11)22-8-15(23-13)27-3/h5-8H,4,9H2,1-3H3
InChIKeyXMYGPHZWWMIPHQ-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.70
Rot. Bonds6

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

ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate (PubChem CID 153325099) has the molecular formula C20H17FN4O4S and a molecular weight of 428.45 g/mol. Its IUPAC name is ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate
PubChem CID153325099
Molecular FormulaC20H17FN4O4S
Molecular Weight428.45 g/mol
Exact Mass428.10
IUPAC Nameethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate
SMILESCCOC(=O)COc1nc2sc(-c3cc(C)cc4nc(OC)cnc34)nc2cc1F
InChIInChI=1S/C20H17FN4O4S/c1-4-28-16(26)9-29-18-12(21)7-14-20(25-18)30-19(24-14)11-5-10(2)6-13-17(11)22-8-15(23-13)27-3/h5-8H,4,9H2,1-3H3
InChIKeyXMYGPHZWWMIPHQ-UHFFFAOYSA-N
XLogP3.70
TPSA96.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate with MolForge

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Related Compounds

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
(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
[(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,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
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
[(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
[(7S,8S)-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-8-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methylcarbamic acid
CID 139580070
N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide
CID 134175638
2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 134180682
2-[[4-chloro-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbamate
CID 139522908

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate (CID 153325099) is ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate is CCOC(=O)COc1nc2sc(-c3cc(C)cc4nc(OC)cnc34)nc2cc1F.
What is the InChIKey of ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate?
The InChIKey is XMYGPHZWWMIPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4S/c1-4-28-16(26)9-29-18-12(21)7-14-20(25-18)30-19(24-14)11-5-10(2)6-13-17(11)22-8-15(23-13)27-3/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate?
ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate has a molecular weight of 428.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate is sourced from PubChem (CID 153325099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).