2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol

C21H19FN4OS — CID 11646879

IUPAC2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol
SMILESOCCNc1cc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1
InChIInChI=1S/C21H19FN4OS/c22-15-6-4-14(5-7-15)17-13-28-21-20(17)18(11-19(26-21)24-9-10-27)25-12-16-3-1-2-8-23-16/h1-8,11,13,27H,9-10,12H2,(H2,24,25,26)
InChIKeyMSBFGGMUDUOSBI-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.51
Rot. Bonds7

About 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol

2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol (PubChem CID 11646879) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol
PubChem CID11646879
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol
SMILESOCCNc1cc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1
InChIInChI=1S/C21H19FN4OS/c22-15-6-4-14(5-7-15)17-13-28-21-20(17)18(11-19(26-21)24-9-10-27)25-12-16-3-1-2-8-23-16/h1-8,11,13,27H,9-10,12H2,(H2,24,25,26)
InChIKeyMSBFGGMUDUOSBI-UHFFFAOYSA-N
XLogP4.51
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol?
The IUPAC name of 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol (CID 11646879) is 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol is OCCNc1cc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol?
The InChIKey is MSBFGGMUDUOSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c22-15-6-4-14(5-7-15)17-13-28-21-20(17)18(11-19(26-21)24-9-10-27)25-12-16-3-1-2-8-23-16/h1-8,11,13,27H,9-10,12H2,(H2,24,25,26).
What are the key properties of 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol?
2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol has a molecular weight of 394.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]amino]ethanol is sourced from PubChem (CID 11646879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).