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

C23H30N4OS — CID 146284939

IUPAC5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cc(OC[C@]2(C)CCCN(C(C)c3ccc4sc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C23H30N4OS/c1-15-11-19(12-16(2)24-15)28-14-23(5)9-6-10-27(13-23)17(3)20-7-8-21-22(26-20)25-18(4)29-21/h7-8,11-12,17H,6,9-10,13-14H2,1-5H3/t17?,23-/m1/s1
InChIKeyJXACMULGQSASKW-IRCUZVAFSA-N
MW410.59 g/mol
LogP5.25
Rot. Bonds5

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

5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 146284939) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is 5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID146284939
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cc(OC[C@]2(C)CCCN(C(C)c3ccc4sc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C23H30N4OS/c1-15-11-19(12-16(2)24-15)28-14-23(5)9-6-10-27(13-23)17(3)20-7-8-21-22(26-20)25-18(4)29-21/h7-8,11-12,17H,6,9-10,13-14H2,1-5H3/t17?,23-/m1/s1
InChIKeyJXACMULGQSASKW-IRCUZVAFSA-N
XLogP5.25
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

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
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
[(3S)-1-[1-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-5-yl)ethyl]piperidin-3-yl]methanol
CID 146285035
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
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076635
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075542
2,6-dimethyl-4-[[(3S)-3-methylpyrrolidin-3-yl]methoxy]pyridine
CID 153376606
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162468296
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-3-fluoropiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286002
6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283838
6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 156524198

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 146284939) is 5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is Cc1cc(OC[C@]2(C)CCCN(C(C)c3ccc4sc(C)nc4n3)C2)cc(C)n1.
What is the InChIKey of 5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is JXACMULGQSASKW-IRCUZVAFSA-N. The full InChI is InChI=1S/C23H30N4OS/c1-15-11-19(12-16(2)24-15)28-14-23(5)9-6-10-27(13-23)17(3)20-7-8-21-22(26-20)25-18(4)29-21/h7-8,11-12,17H,6,9-10,13-14H2,1-5H3/t17?,23-/m1/s1.
What are the key properties of 5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 410.59 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 146284939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).