[7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone

C20H20N6OS — CID 176733458

IUPAC[7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
SMILESCn1ncc2cc(-c3cnc4c(N)c(C(=O)N5CCCCC5)sc4n3)ccc21
InChIInChI=1S/C20H20N6OS/c1-25-15-6-5-12(9-13(15)10-23-25)14-11-22-17-16(21)18(28-19(17)24-14)20(27)26-7-3-2-4-8-26/h5-6,9-11H,2-4,7-8,21H2,1H3
InChIKeyMVBUFMCFEBVQFJ-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.45
Rot. Bonds2

About [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone

[7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone (PubChem CID 176733458) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
PubChem CID176733458
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name[7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
SMILESCn1ncc2cc(-c3cnc4c(N)c(C(=O)N5CCCCC5)sc4n3)ccc21
InChIInChI=1S/C20H20N6OS/c1-25-15-6-5-12(9-13(15)10-23-25)14-11-22-17-16(21)18(28-19(17)24-14)20(27)26-7-3-2-4-8-26/h5-6,9-11H,2-4,7-8,21H2,1H3
InChIKeyMVBUFMCFEBVQFJ-UHFFFAOYSA-N
XLogP3.45
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone 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 [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone (CID 176733458) is [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone is Cn1ncc2cc(-c3cnc4c(N)c(C(=O)N5CCCCC5)sc4n3)ccc21.
What is the InChIKey of [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is MVBUFMCFEBVQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-25-15-6-5-12(9-13(15)10-23-25)14-11-22-17-16(21)18(28-19(17)24-14)20(27)26-7-3-2-4-8-26/h5-6,9-11H,2-4,7-8,21H2,1H3.
What are the key properties of [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
[7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 392.49 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 176733458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).