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

C37H38FN9O2S2 — CID 162180317

IUPAC5-(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
SMILESO=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1CCF.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1
InChIInChI=1S/C20H19N5OS.C17H19FN4OS/c26-20-18-16(7-11-25(20)15-4-3-8-21-13-15)23-19(27-18)14-5-6-17(22-12-14)24-9-1-2-10-24;18-6-10-22-9-5-13-15(17(22)23)24-16(20-13)12-3-4-14(19-11-12)21-7-1-2-8-21/h3-6,8,12-13H,1-2,7,9-11H2;3-4,11H,1-2,5-10H2
InChIKeyZOXWMTRXVSRGIH-UHFFFAOYSA-N
MW723.90 g/mol
LogP6.18
Rot. Bonds7

About 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

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 (PubChem CID 162180317) has the molecular formula C37H38FN9O2S2 and a molecular weight of 723.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID162180317
Molecular FormulaC37H38FN9O2S2
Molecular Weight723.90 g/mol
Exact Mass723.26
IUPAC Name5-(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
SMILESO=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1CCF.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1
InChIInChI=1S/C20H19N5OS.C17H19FN4OS/c26-20-18-16(7-11-25(20)15-4-3-8-21-13-15)23-19(27-18)14-5-6-17(22-12-14)24-9-1-2-10-24;18-6-10-22-9-5-13-15(17(22)23)24-16(20-13)12-3-4-14(19-11-12)21-7-1-2-8-21/h3-6,8,12-13H,1-2,7,9-11H2;3-4,11H,1-2,5-10H2
InChIKeyZOXWMTRXVSRGIH-UHFFFAOYSA-N
XLogP6.18
TPSA111.55 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500723.90
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 167073577
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
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
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
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-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548651
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-(phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247348
5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475107
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
6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride
CID 171801653
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1CCF.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1.
What is the InChIKey of 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?
The InChIKey is ZOXWMTRXVSRGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS.C17H19FN4OS/c26-20-18-16(7-11-25(20)15-4-3-8-21-13-15)23-19(27-18)14-5-6-17(22-12-14)24-9-1-2-10-24;18-6-10-22-9-5-13-15(17(22)23)24-16(20-13)12-3-4-14(19-11-12)21-7-1-2-8-21/h3-6,8,12-13H,1-2,7,9-11H2;3-4,11H,1-2,5-10H2.
What are the key properties of 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?
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 has a molecular weight of 723.90 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162180317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).