2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one

C25H23N3O2S — CID 21083982

IUPAC2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one
SMILESCN1CCN(C(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2-c2ccccc2)CC1
InChIInChI=1S/C25H23N3O2S/c1-26-14-16-27(17-15-26)24(30)23-22(18-8-4-2-5-9-18)20-12-13-21(29)28(25(20)31-23)19-10-6-3-7-11-19/h2-13H,14-17H2,1H3
InChIKeyBBAKYVYDUCGDTK-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one

2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one (PubChem CID 21083982) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one
PubChem CID21083982
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one
SMILESCN1CCN(C(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2-c2ccccc2)CC1
InChIInChI=1S/C25H23N3O2S/c1-26-14-16-27(17-15-26)24(30)23-22(18-8-4-2-5-9-18)20-12-13-21(29)28(25(20)31-23)19-10-6-3-7-11-19/h2-13H,14-17H2,1H3
InChIKeyBBAKYVYDUCGDTK-UHFFFAOYSA-N
XLogP4.11
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one 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 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one (CID 21083982) is 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one is CN1CCN(C(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2-c2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one?
The InChIKey is BBAKYVYDUCGDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-26-14-16-27(17-15-26)24(30)23-22(18-8-4-2-5-9-18)20-12-13-21(29)28(25(20)31-23)19-10-6-3-7-11-19/h2-13H,14-17H2,1H3.
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one?
2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one has a molecular weight of 429.55 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 21083982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).