4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine

C21H13FN4OS — CID 123243072

IUPAC4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine
SMILESCc1nc(-c2cncc(F)c2)sc1-c1nc(-c2ccccn2)cc2occc12
InChIInChI=1S/C21H13FN4OS/c1-12-20(28-21(25-12)13-8-14(22)11-23-10-13)19-15-5-7-27-18(15)9-17(26-19)16-4-2-3-6-24-16/h2-11H,1H3
InChIKeyIMQUQANBAUBZBF-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.52
Rot. Bonds3

About 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine

4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine (PubChem CID 123243072) has the molecular formula C21H13FN4OS and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine
PubChem CID123243072
Molecular FormulaC21H13FN4OS
Molecular Weight388.43 g/mol
Exact Mass388.08
IUPAC Name4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine
SMILESCc1nc(-c2cncc(F)c2)sc1-c1nc(-c2ccccn2)cc2occc12
InChIInChI=1S/C21H13FN4OS/c1-12-20(28-21(25-12)13-8-14(22)11-23-10-13)19-15-5-7-27-18(15)9-17(26-19)16-4-2-3-6-24-16/h2-11H,1H3
InChIKeyIMQUQANBAUBZBF-UHFFFAOYSA-N
XLogP5.52
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine with MolForge

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Related Compounds

[3-Amino-8-(pyridin-4-ylmethoxy)-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraen-4-yl]-pyridin-4-ylmethanone
CID 155543990
(RS)-1-[5-(4-Fluoro-phenyl)-2-methyl-thiazol-4-yl]-1-(2-furo [3,2-b]-pyridin-2-ylmethyl-piperidin-1-yl)methanone
CID 23146339
(RS)-1-[5-(4-Fluoro-phenyl)-2-methyl-thiazol-4-yl]-1-(2-furo[2,3-b]pyridin-2-ylmethyl-piperidin-1-yl)-methanone
CID 23146370
[2-[(5-Fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-(5-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 23146390
[(2S)-2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-(5-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 66968530
[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(2-furo[2,3-b]pyridin-2-yl-2-methylpiperidin-1-yl)methanone
CID 69560970
[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(2-furo[3,2-b]pyridin-2-yl-2-methylpiperidin-1-yl)methanone
CID 69562483
(5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118089920
(5E)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118089922
5-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-7-pyrimidin-2-ylfuro[2,3-c]pyridine
CID 123212989
6-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-4-pyridin-2-ylfuro[3,2-c]pyridine
CID 123219773
6-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-4-pyrimidin-2-ylfuro[3,2-c]pyridine
CID 123262037

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine?
The IUPAC name of 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine (CID 123243072) is 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine.
What is the SMILES notation for 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine?
The canonical SMILES for 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine is Cc1nc(-c2cncc(F)c2)sc1-c1nc(-c2ccccn2)cc2occc12.
What is the InChIKey of 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine?
The InChIKey is IMQUQANBAUBZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4OS/c1-12-20(28-21(25-12)13-8-14(22)11-23-10-13)19-15-5-7-27-18(15)9-17(26-19)16-4-2-3-6-24-16/h2-11H,1H3.
What are the key properties of 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine?
4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine has a molecular weight of 388.43 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyridin-2-ylfuro[3,2-c]pyridine is sourced from PubChem (CID 123243072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).