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

C20H19FN4O3S — CID 134181600

IUPAC(2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol
SMILESCCOc1cnc2c(-c3nc4cc(F)c(OC[C@@H](C)O)nc4s3)cc(C)cc2n1
InChIInChI=1S/C20H19FN4O3S/c1-4-27-16-8-22-17-12(5-10(2)6-14(17)23-16)19-24-15-7-13(21)18(25-20(15)29-19)28-9-11(3)26/h5-8,11,26H,4,9H2,1-3H3/t11-/m1/s1
InChIKeyVHOFQTIWMQYWQR-LLVKDONJSA-N
MW414.46 g/mol
LogP3.91
Rot. Bonds6

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

(2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol (PubChem CID 134181600) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is (2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol
PubChem CID134181600
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name(2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol
SMILESCCOc1cnc2c(-c3nc4cc(F)c(OC[C@@H](C)O)nc4s3)cc(C)cc2n1
InChIInChI=1S/C20H19FN4O3S/c1-4-27-16-8-22-17-12(5-10(2)6-14(17)23-16)19-24-15-7-13(21)18(25-20(15)29-19)28-9-11(3)26/h5-8,11,26H,4,9H2,1-3H3/t11-/m1/s1
InChIKeyVHOFQTIWMQYWQR-LLVKDONJSA-N
XLogP3.91
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol?
The IUPAC name of (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) is (2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol?
The canonical SMILES for (2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol is CCOc1cnc2c(-c3nc4cc(F)c(OC[C@@H](C)O)nc4s3)cc(C)cc2n1.
What is the InChIKey of (2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol?
The InChIKey is VHOFQTIWMQYWQR-LLVKDONJSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-4-27-16-8-22-17-12(5-10(2)6-14(17)23-16)19-24-15-7-13(21)18(25-20(15)29-19)28-9-11(3)26/h5-8,11,26H,4,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol?
(2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol has a molecular weight of 414.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol is sourced from PubChem (CID 134181600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).