2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol

C24H23ClN2O3S — CID 126696413

IUPAC2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol
SMILESNc1ncc(CCO)c2scc(COc3cccc(OCCc4ccc(Cl)cc4)c3)c12
InChIInChI=1S/C24H23ClN2O3S/c25-19-6-4-16(5-7-19)9-11-29-20-2-1-3-21(12-20)30-14-18-15-31-23-17(8-10-28)13-27-24(26)22(18)23/h1-7,12-13,15,28H,8-11,14H2,(H2,26,27)
InChIKeyVNUFFWDFIIQMLP-UHFFFAOYSA-N
MW454.98 g/mol
LogP5.27
Rot. Bonds9

About 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol

2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol (PubChem CID 126696413) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol
PubChem CID126696413
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol
SMILESNc1ncc(CCO)c2scc(COc3cccc(OCCc4ccc(Cl)cc4)c3)c12
InChIInChI=1S/C24H23ClN2O3S/c25-19-6-4-16(5-7-19)9-11-29-20-2-1-3-21(12-20)30-14-18-15-31-23-17(8-10-28)13-27-24(26)22(18)23/h1-7,12-13,15,28H,8-11,14H2,(H2,26,27)
InChIKeyVNUFFWDFIIQMLP-UHFFFAOYSA-N
XLogP5.27
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol with MolForge

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Related Compounds

CID 11177814
CID 11177814
CID 11259738
CID 11259738
CID 11430707
CID 11430707
CID 122186250
CID 122186250
CID 122186251
CID 122186251
CID 122186253
CID 122186253
CID 122186254
CID 122186254
CID 16050702
CID 16050702
CID 16050895
CID 16050895
CID 87715319
CID 87715319
CID 126695466
CID 126695466
CID 126695473
CID 126695473

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol?
The IUPAC name of 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol (CID 126696413) is 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol.
What is the SMILES notation for 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol?
The canonical SMILES for 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol is Nc1ncc(CCO)c2scc(COc3cccc(OCCc4ccc(Cl)cc4)c3)c12.
What is the InChIKey of 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol?
The InChIKey is VNUFFWDFIIQMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c25-19-6-4-16(5-7-19)9-11-29-20-2-1-3-21(12-20)30-14-18-15-31-23-17(8-10-28)13-27-24(26)22(18)23/h1-7,12-13,15,28H,8-11,14H2,(H2,26,27).
What are the key properties of 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol?
2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol has a molecular weight of 454.98 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol is sourced from PubChem (CID 126696413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).