(4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one

C19H24ClFN2O4S — CID 159443351

IUPAC(4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one
SMILESCCOc1nc2c(Cl)c(F)c(OCC3CC(OC[C@H](C)CC(C)=O)C3)nc2s1
InChIInChI=1S/C19H24ClFN2O4S/c1-4-25-19-22-16-14(20)15(21)17(23-18(16)28-19)27-9-12-6-13(7-12)26-8-10(2)5-11(3)24/h10,12-13H,4-9H2,1-3H3/t10-,12?,13?/m1/s1
InChIKeyLSLGWWMWUHONQF-QFWMXSHPSA-N
MW430.93 g/mol
LogP4.67
Rot. Bonds10

About (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one

(4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one (PubChem CID 159443351) has the molecular formula C19H24ClFN2O4S and a molecular weight of 430.93 g/mol. Its IUPAC name is (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one.

Molecular Properties

Compound Name(4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one
PubChem CID159443351
Molecular FormulaC19H24ClFN2O4S
Molecular Weight430.93 g/mol
Exact Mass430.11
IUPAC Name(4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one
SMILESCCOc1nc2c(Cl)c(F)c(OCC3CC(OC[C@H](C)CC(C)=O)C3)nc2s1
InChIInChI=1S/C19H24ClFN2O4S/c1-4-25-19-22-16-14(20)15(21)17(23-18(16)28-19)27-9-12-6-13(7-12)26-8-10(2)5-11(3)24/h10,12-13H,4-9H2,1-3H3/t10-,12?,13?/m1/s1
InChIKeyLSLGWWMWUHONQF-QFWMXSHPSA-N
XLogP4.67
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one?
The IUPAC name of (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one (CID 159443351) is (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one.
What is the SMILES notation for (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one?
The canonical SMILES for (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one is CCOc1nc2c(Cl)c(F)c(OCC3CC(OC[C@H](C)CC(C)=O)C3)nc2s1.
What is the InChIKey of (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one?
The InChIKey is LSLGWWMWUHONQF-QFWMXSHPSA-N. The full InChI is InChI=1S/C19H24ClFN2O4S/c1-4-25-19-22-16-14(20)15(21)17(23-18(16)28-19)27-9-12-6-13(7-12)26-8-10(2)5-11(3)24/h10,12-13H,4-9H2,1-3H3/t10-,12?,13?/m1/s1.
What are the key properties of (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one?
(4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one has a molecular weight of 430.93 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one is sourced from PubChem (CID 159443351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).