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

C23H25FN6O2S — CID 175548729

IUPAC2-[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
SMILESO=C1c2sc(-c3ccc(N4CCC(F)C4)nc3)nc2CCN1c1cnn(C2CCCCO2)c1
InChIInChI=1S/C23H25FN6O2S/c24-16-6-8-28(13-16)19-5-4-15(11-25-19)22-27-18-7-9-29(23(31)21(18)33-22)17-12-26-30(14-17)20-3-1-2-10-32-20/h4-5,11-12,14,16,20H,1-3,6-10,13H2
InChIKeyZZZYWXXKZYYCNM-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.85
Rot. Bonds4

About 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

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 (PubChem CID 175548729) has the molecular formula C23H25FN6O2S and a molecular weight of 468.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID175548729
Molecular FormulaC23H25FN6O2S
Molecular Weight468.56 g/mol
Exact Mass468.17
IUPAC Name2-[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
SMILESO=C1c2sc(-c3ccc(N4CCC(F)C4)nc3)nc2CCN1c1cnn(C2CCCCO2)c1
InChIInChI=1S/C23H25FN6O2S/c24-16-6-8-28(13-16)19-5-4-15(11-25-19)22-27-18-7-9-29(23(31)21(18)33-22)17-12-26-30(14-17)20-3-1-2-10-32-20/h4-5,11-12,14,16,20H,1-3,6-10,13H2
InChIKeyZZZYWXXKZYYCNM-UHFFFAOYSA-N
XLogP3.85
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 174034328
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475237
(E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine
CID 166475099
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
5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 167073577
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-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one
CID 176706302
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
2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475252
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2sc(-c3ccc(N4CCC(F)C4)nc3)nc2CCN1c1cnn(C2CCCCO2)c1.
What is the InChIKey of 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?
The InChIKey is ZZZYWXXKZYYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2S/c24-16-6-8-28(13-16)19-5-4-15(11-25-19)22-27-18-7-9-29(23(31)21(18)33-22)17-12-26-30(14-17)20-3-1-2-10-32-20/h4-5,11-12,14,16,20H,1-3,6-10,13H2.
What are the key properties of 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?
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 has a molecular weight of 468.56 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175548729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).