N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine

C24H21N3O2S — CID 18382952

IUPACN-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine
SMILESCOCCOc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C24H21N3O2S/c1-28-12-13-29-19-5-2-16(3-6-19)23-15-22-24(30-23)21(9-11-26-22)27-18-4-7-20-17(14-18)8-10-25-20/h2-11,14-15,25H,12-13H2,1H3,(H,26,27)
InChIKeyNWXHFVURZLIPKL-UHFFFAOYSA-N
MW415.52 g/mol
LogP6.21
Rot. Bonds7

About N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine

N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 18382952) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine
PubChem CID18382952
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine
SMILESCOCCOc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C24H21N3O2S/c1-28-12-13-29-19-5-2-16(3-6-19)23-15-22-24(30-23)21(9-11-26-22)27-18-4-7-20-17(14-18)8-10-25-20/h2-11,14-15,25H,12-13H2,1H3,(H,26,27)
InChIKeyNWXHFVURZLIPKL-UHFFFAOYSA-N
XLogP6.21
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine 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 N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine (CID 18382952) is N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine is COCCOc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1.
What is the InChIKey of N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is NWXHFVURZLIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-28-12-13-29-19-5-2-16(3-6-19)23-15-22-24(30-23)21(9-11-26-22)27-18-4-7-20-17(14-18)8-10-25-20/h2-11,14-15,25H,12-13H2,1H3,(H,26,27).
What are the key properties of N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine?
N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 415.52 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 18382952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).