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

C15H17FN4OS — CID 171489049

IUPAC2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCC2=C1SC(c1ccc(N3CCCC3)nc1F)N2
InChIInChI=1S/C15H17FN4OS/c16-13-9(3-4-11(19-13)20-7-1-2-8-20)15-18-10-5-6-17-14(21)12(10)22-15/h3-4,15,18H,1-2,5-8H2,(H,17,21)
InChIKeyLNVYPGWZEXCCNY-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.89
Rot. Bonds2

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

2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 171489049) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID171489049
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCC2=C1SC(c1ccc(N3CCCC3)nc1F)N2
InChIInChI=1S/C15H17FN4OS/c16-13-9(3-4-11(19-13)20-7-1-2-8-20)15-18-10-5-6-17-14(21)12(10)22-15/h3-4,15,18H,1-2,5-8H2,(H,17,21)
InChIKeyLNVYPGWZEXCCNY-UHFFFAOYSA-N
XLogP1.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

N-(6-methyl-2-pyridyl)(6-methyl-4-oxo-1-thia-3a,7-diaza-3-indanyl)acetamide
CID 44044827
N-(6-methylpyridin-2-yl)-2-{2-oxo-10-thia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),8-dien-12-yl}acetamide
CID 45512100
[(4Z)-3-amino-4-[(3Z)-3-(methylhydrazinylidene)butan-2-ylidene]thiophen-2-yl]-[2-(6-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 134502920
5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one
CID 166475100
5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475103
2-[2-[6-(3-Fluoropyrrolidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
CID 166475112
5-(3-Amino-4-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475193
1-(3-Amino-2-fluorophenyl)-5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydropyridin-6-one
CID 166475226
5-(3-Amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475236
5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475243
(2E,4E)-2-(aminomethyl)-5-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]hepta-2,4,6-trienenitrile
CID 166475255
4-Amino-1-(3-amino-2-fluorophenyl)-5-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethylsulfanyl]-2,3-dihydropyridin-6-one
CID 166475264

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 171489049) is 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1NCCC2=C1SC(c1ccc(N3CCCC3)nc1F)N2.
What is the InChIKey of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is LNVYPGWZEXCCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-13-9(3-4-11(19-13)20-7-1-2-8-20)15-18-10-5-6-17-14(21)12(10)22-15/h3-4,15,18H,1-2,5-8H2,(H,17,21).
What are the key properties of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 320.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 171489049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).