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

C20H24FN5OS — CID 156524198

IUPAC6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cc(N2CCN(C(C)c3nc4nc(C)sc4cc3F)CC2)cc(C)n1
InChIInChI=1S/C20H24FN5OS/c1-12-9-15(10-18(22-12)27-4)26-7-5-25(6-8-26)13(2)19-16(21)11-17-20(24-19)23-14(3)28-17/h9-11,13H,5-8H2,1-4H3
InChIKeyJPLMWOFROZISQU-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.73
Rot. Bonds4

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

6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 156524198) has the molecular formula C20H24FN5OS and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID156524198
Molecular FormulaC20H24FN5OS
Molecular Weight401.51 g/mol
Exact Mass401.17
IUPAC Name6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cc(N2CCN(C(C)c3nc4nc(C)sc4cc3F)CC2)cc(C)n1
InChIInChI=1S/C20H24FN5OS/c1-12-9-15(10-18(22-12)27-4)26-7-5-25(6-8-26)13(2)19-16(21)11-17-20(24-19)23-14(3)28-17/h9-11,13H,5-8H2,1-4H3
InChIKeyJPLMWOFROZISQU-UHFFFAOYSA-N
XLogP3.73
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-2-methyl-5-[1-[4-[2-methyl-3-(4-methylphenyl)sulfonylbenzimidazol-5-yl]piperazin-1-yl]ethyl]-[1,3]thiazolo[4,5-b]pyridine
CID 156524095
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-[(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
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-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
5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane
CID 159062093
2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 167102077
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
2-methyl-5-[(1R)-1-[4-(5-methylsulfanylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 156777332
(2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461953
2-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 166710904
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 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) is 6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is COc1cc(N2CCN(C(C)c3nc4nc(C)sc4cc3F)CC2)cc(C)n1.
What is the InChIKey of 6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is JPLMWOFROZISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5OS/c1-12-9-15(10-18(22-12)27-4)26-7-5-25(6-8-26)13(2)19-16(21)11-17-20(24-19)23-14(3)28-17/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 401.51 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 156524198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).