[4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate

C24H21F2N3O5S — CID 126662805

IUPAC[4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
SMILESNc1ncc(OC(=O)NCCO)c2scc(COc3cccc(OCc4cccc(F)c4F)c3)c12
InChIInChI=1S/C24H21F2N3O5S/c25-18-6-1-3-14(21(18)26)11-32-16-4-2-5-17(9-16)33-12-15-13-35-22-19(10-29-23(27)20(15)22)34-24(31)28-7-8-30/h1-6,9-10,13,30H,7-8,11-12H2,(H2,27,29)(H,28,31)
InChIKeyHOEVVNBXQMNIEL-UHFFFAOYSA-N
MW501.51 g/mol
LogP4.40
Rot. Bonds9

About [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate

[4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate (PubChem CID 126662805) has the molecular formula C24H21F2N3O5S and a molecular weight of 501.51 g/mol. Its IUPAC name is [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name[4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
PubChem CID126662805
Molecular FormulaC24H21F2N3O5S
Molecular Weight501.51 g/mol
Exact Mass501.12
IUPAC Name[4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
SMILESNc1ncc(OC(=O)NCCO)c2scc(COc3cccc(OCc4cccc(F)c4F)c3)c12
InChIInChI=1S/C24H21F2N3O5S/c25-18-6-1-3-14(21(18)26)11-32-16-4-2-5-17(9-16)33-12-15-13-35-22-19(10-29-23(27)20(15)22)34-24(31)28-7-8-30/h1-6,9-10,13,30H,7-8,11-12H2,(H2,27,29)(H,28,31)
InChIKeyHOEVVNBXQMNIEL-UHFFFAOYSA-N
XLogP4.40
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate?
The IUPAC name of [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate (CID 126662805) is [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate?
The canonical SMILES for [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate is Nc1ncc(OC(=O)NCCO)c2scc(COc3cccc(OCc4cccc(F)c4F)c3)c12.
What is the InChIKey of [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate?
The InChIKey is HOEVVNBXQMNIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O5S/c25-18-6-1-3-14(21(18)26)11-32-16-4-2-5-17(9-16)33-12-15-13-35-22-19(10-29-23(27)20(15)22)34-24(31)28-7-8-30/h1-6,9-10,13,30H,7-8,11-12H2,(H2,27,29)(H,28,31).
What are the key properties of [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate?
[4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate has a molecular weight of 501.51 g/mol, XLogP of 4.40, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 126662805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).