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

C23H23FN4O2S — CID 11524953

IUPAC2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1cc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1
InChIInChI=1S/C23H23FN4O2S/c24-17-6-4-16(5-7-17)19-15-31-23-22(19)20(26-14-18-3-1-2-8-25-18)13-21(27-23)28(9-11-29)10-12-30/h1-8,13,15,29-30H,9-12,14H2,(H,26,27)
InChIKeyOWBPPRYKFGDEAW-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.90
Rot. Bonds9

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

2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 11524953) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID11524953
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1cc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1
InChIInChI=1S/C23H23FN4O2S/c24-17-6-4-16(5-7-17)19-15-31-23-22(19)20(26-14-18-3-1-2-8-25-18)13-21(27-23)28(9-11-29)10-12-30/h1-8,13,15,29-30H,9-12,14H2,(H,26,27)
InChIKeyOWBPPRYKFGDEAW-UHFFFAOYSA-N
XLogP3.90
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol (CID 11524953) is 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1cc(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]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is OWBPPRYKFGDEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c24-17-6-4-16(5-7-17)19-15-31-23-22(19)20(26-14-18-3-1-2-8-25-18)13-21(27-23)28(9-11-29)10-12-30/h1-8,13,15,29-30H,9-12,14H2,(H,26,27).
What are the key properties of 2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[3-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 438.53 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 7 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]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 11524953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).