2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C21H20FN5O2S — CID 177360567

IUPAC2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(-c3ccc(N4CCC(O)CC4)nc3F)nc2CCN1c1cccnc1
InChIInChI=1S/C21H20FN5O2S/c22-19-15(3-4-17(25-19)26-9-5-14(28)6-10-26)20-24-16-7-11-27(21(29)18(16)30-20)13-2-1-8-23-12-13/h1-4,8,12,14,28H,5-7,9-11H2
InChIKeyMAWKTTWSZXEXGO-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.90
Rot. Bonds3

About 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 177360567) has the molecular formula C21H20FN5O2S and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID177360567
Molecular FormulaC21H20FN5O2S
Molecular Weight425.49 g/mol
Exact Mass425.13
IUPAC Name2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(-c3ccc(N4CCC(O)CC4)nc3F)nc2CCN1c1cccnc1
InChIInChI=1S/C21H20FN5O2S/c22-19-15(3-4-17(25-19)26-9-5-14(28)6-10-26)20-24-16-7-11-27(21(29)18(16)30-20)13-2-1-8-23-12-13/h1-4,8,12,14,28H,5-7,9-11H2
InChIKeyMAWKTTWSZXEXGO-UHFFFAOYSA-N
XLogP2.90
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489074
2-[2-fluoro-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
CID 177360550
2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489054
5-(6-fluoro-3-pyridinyl)-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489058
5-(2-fluoroethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 162180317
2-(phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247348
2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548651
ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine
CID 171489069
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548729
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 176622290
2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475144
5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 167073577

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 177360567) is 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(-c3ccc(N4CCC(O)CC4)nc3F)nc2CCN1c1cccnc1.
What is the InChIKey of 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is MAWKTTWSZXEXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2S/c22-19-15(3-4-17(25-19)26-9-5-14(28)6-10-26)20-24-16-7-11-27(21(29)18(16)30-20)13-2-1-8-23-12-13/h1-4,8,12,14,28H,5-7,9-11H2.
What are the key properties of 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 425.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 177360567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).