5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine

C21H26N4OS — CID 146285034

IUPAC5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cc(C[C@@H]2CCN([C@H](C)c3ccc4sc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C21H26N4OS/c1-13-9-17(11-20(22-13)26-4)10-16-7-8-25(12-16)14(2)18-5-6-19-21(24-18)23-15(3)27-19/h5-6,9,11,14,16H,7-8,10,12H2,1-4H3/t14-,16+/m1/s1
InChIKeyONKCRZVBHAGWAO-ZBFHGGJFSA-N
MW382.53 g/mol
LogP4.34
Rot. Bonds5

About 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine

5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 146285034) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID146285034
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cc(C[C@@H]2CCN([C@H](C)c3ccc4sc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C21H26N4OS/c1-13-9-17(11-20(22-13)26-4)10-16-7-8-25(12-16)14(2)18-5-6-19-21(24-18)23-15(3)27-19/h5-6,9,11,14,16H,7-8,10,12H2,1-4H3/t14-,16+/m1/s1
InChIKeyONKCRZVBHAGWAO-ZBFHGGJFSA-N
XLogP4.34
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine with MolForge

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Related Compounds

5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285107
5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285127
5-[(1S)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine;methane;sulfane
CID 159275795
[(3S)-1-[1-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-5-yl)ethyl]piperidin-3-yl]methanol
CID 146285035
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146283795
4-[[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 163887763
4-[[(3S)-1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine;sulfane
CID 161445999
N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
CID 162468301
N-[1-(dimethylsulfamoyl)-3-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]pyrazol-5-yl]acetamide
CID 146287891
5-fluoro-6-[(1R)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine
CID 146283789
2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine
CID 153376739
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 146285034) is 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is COc1cc(C[C@@H]2CCN([C@H](C)c3ccc4sc(C)nc4n3)C2)cc(C)n1.
What is the InChIKey of 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is ONKCRZVBHAGWAO-ZBFHGGJFSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-13-9-17(11-20(22-13)26-4)10-16-7-8-25(12-16)14(2)18-5-6-19-21(24-18)23-15(3)27-19/h5-6,9,11,14,16H,7-8,10,12H2,1-4H3/t14-,16+/m1/s1.
What are the key properties of 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 382.53 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 146285034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).