N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine

C20H16N4OS — CID 70157778

IUPACN-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine
SMILESCc1cc2cc(Nc3ccnc4cc(-c5ncc(C)o5)sc34)ccc2[nH]1
InChIInChI=1S/C20H16N4OS/c1-11-7-13-8-14(3-4-15(13)23-11)24-16-5-6-21-17-9-18(26-19(16)17)20-22-10-12(2)25-20/h3-10,23H,1-2H3,(H,21,24)
InChIKeyHDDUSOBCKKBNBB-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.79
Rot. Bonds3

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

N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine (PubChem CID 70157778) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine
PubChem CID70157778
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine
SMILESCc1cc2cc(Nc3ccnc4cc(-c5ncc(C)o5)sc34)ccc2[nH]1
InChIInChI=1S/C20H16N4OS/c1-11-7-13-8-14(3-4-15(13)23-11)24-16-5-6-21-17-9-18(26-19(16)17)20-22-10-12(2)25-20/h3-10,23H,1-2H3,(H,21,24)
InChIKeyHDDUSOBCKKBNBB-UHFFFAOYSA-N
XLogP5.79
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)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-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine (CID 70157778) is N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine is Cc1cc2cc(Nc3ccnc4cc(-c5ncc(C)o5)sc34)ccc2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is HDDUSOBCKKBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-11-7-13-8-14(3-4-15(13)23-11)24-16-5-6-21-17-9-18(26-19(16)17)20-22-10-12(2)25-20/h3-10,23H,1-2H3,(H,21,24).
What are the key properties of N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine?
N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 360.44 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 70157778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).