(4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one

C21H29N3O4S — CID 158169339

IUPAC(4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one
SMILESCC(=O)C[C@@H](C)COC1CC(COc2ccc3nc(N4CCOCC4)sc3n2)C1
InChIInChI=1S/C21H29N3O4S/c1-14(9-15(2)25)12-27-17-10-16(11-17)13-28-19-4-3-18-20(23-19)29-21(22-18)24-5-7-26-8-6-24/h3-4,14,16-17H,5-13H2,1-2H3/t14-,16?,17?/m1/s1
InChIKeyFXGITHDLVNUXOM-ODIFPOPNSA-N
MW419.55 g/mol
LogP3.32
Rot. Bonds9

About (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one

(4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one (PubChem CID 158169339) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one
PubChem CID158169339
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name(4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one
SMILESCC(=O)C[C@@H](C)COC1CC(COc2ccc3nc(N4CCOCC4)sc3n2)C1
InChIInChI=1S/C21H29N3O4S/c1-14(9-15(2)25)12-27-17-10-16(11-17)13-28-19-4-3-18-20(23-19)29-21(22-18)24-5-7-26-8-6-24/h3-4,14,16-17H,5-13H2,1-2H3/t14-,16?,17?/m1/s1
InChIKeyFXGITHDLVNUXOM-ODIFPOPNSA-N
XLogP3.32
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one with MolForge

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Related Compounds

N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide
CID 154946898
N-[(2S)-1-[3-[[2-(dimethylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497754
(4R)-5-[3-[[6-chloro-2-(2,2-difluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one
CID 162123891
N-[(2S)-1-[4-[(7-fluoro-2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497728
(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
(4R)-5-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]cyclohexyl]oxy-4-methylpentan-2-one
CID 158902004
4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine
CID 139316829
5-(cyclobutylmethoxy)-2-(cyclopropylmethoxy)-[1,3]thiazolo[5,4-b]pyridine
CID 154946882
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 117090773
(3R)-3-(3-cyclopropylsulfonylpyrazol-1-yl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(oxan-4-yl)butan-2-one
CID 157422734
1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
CID 53187197

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one?
The IUPAC name of (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one (CID 158169339) is (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one.
What is the SMILES notation for (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one?
The canonical SMILES for (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one is CC(=O)C[C@@H](C)COC1CC(COc2ccc3nc(N4CCOCC4)sc3n2)C1.
What is the InChIKey of (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one?
The InChIKey is FXGITHDLVNUXOM-ODIFPOPNSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-14(9-15(2)25)12-27-17-10-16(11-17)13-28-19-4-3-18-20(23-19)29-21(22-18)24-5-7-26-8-6-24/h3-4,14,16-17H,5-13H2,1-2H3/t14-,16?,17?/m1/s1.
What are the key properties of (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one?
(4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one has a molecular weight of 419.55 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one is sourced from PubChem (CID 158169339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).