8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C25H15FN2OS — CID 155626203

IUPAC8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc4sc(-c5ccc(F)cc5)cc4cn3)cccc12
InChIInChI=1S/C25H15FN2OS/c1-14-5-10-19-18-3-2-4-20(24(18)29-25(19)28-14)21-12-23-16(13-27-21)11-22(30-23)15-6-8-17(26)9-7-15/h2-13H,1H3
InChIKeyLSEZBHCTQNIGKJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP7.37
Rot. Bonds2

About 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155626203) has the molecular formula C25H15FN2OS and a molecular weight of 410.47 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID155626203
Molecular FormulaC25H15FN2OS
Molecular Weight410.47 g/mol
Exact Mass410.09
IUPAC Name8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc4sc(-c5ccc(F)cc5)cc4cn3)cccc12
InChIInChI=1S/C25H15FN2OS/c1-14-5-10-19-18-3-2-4-20(24(18)29-25(19)28-14)21-12-23-16(13-27-21)11-22(30-23)15-6-8-17(26)9-7-15/h2-13H,1H3
InChIKeyLSEZBHCTQNIGKJ-UHFFFAOYSA-N
XLogP7.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

4-[3-(6-Methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine
CID 24747930
2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
(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
3-[3-[4-[2-[5-[[acetyl(propyl)amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropyl]-N,N-dimethylbenzamide
CID 58207793
3-[3-[3-Fluoro-4-[2-[5-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzamide
CID 58474817
[3-(4-Fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine
CID 66671339
[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
8-(4-(2-Fluorophenyl)pyridin-2-yl)-2-methylbenzofuro[2,3-b]pyridine
CID 90121485
8-(4-(2,4-Difluorophenyl)pyridin-2-yl)-2-methylbenzofuro[2,3-b]pyridine
CID 90121557
2-Methyl-8-[4-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121576
8-[4-(3-Fluorophenyl)-2-pyridinyl]-2-methylbenzofuro[2,3-b]pyridine
CID 90121582
8-(4-(2,3-Difluorophenyl)pyridin-2-yl)-2-methylbenzofuro[2,3-b]pyridine
CID 90121594

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 155626203) is 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc4sc(-c5ccc(F)cc5)cc4cn3)cccc12.
What is the InChIKey of 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is LSEZBHCTQNIGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN2OS/c1-14-5-10-19-18-3-2-4-20(24(18)29-25(19)28-14)21-12-23-16(13-27-21)11-22(30-23)15-6-8-17(26)9-7-15/h2-13H,1H3.
What are the key properties of 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 410.47 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155626203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).