[4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone

C24H22N4O2S — CID 18465176

IUPAC[4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cccc(-c2cc(N3CCN(C(=O)c4ccncc4)CC3)c3sccc3n2)c1
InChIInChI=1S/C24H22N4O2S/c1-30-19-4-2-3-18(15-19)21-16-22(23-20(26-21)7-14-31-23)27-10-12-28(13-11-27)24(29)17-5-8-25-9-6-17/h2-9,14-16H,10-13H2,1H3
InChIKeyUULMVHDIEDVZFP-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.33
Rot. Bonds4

About [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone

[4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 18465176) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID18465176
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name[4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cccc(-c2cc(N3CCN(C(=O)c4ccncc4)CC3)c3sccc3n2)c1
InChIInChI=1S/C24H22N4O2S/c1-30-19-4-2-3-18(15-19)21-16-22(23-20(26-21)7-14-31-23)27-10-12-28(13-11-27)24(29)17-5-8-25-9-6-17/h2-9,14-16H,10-13H2,1H3
InChIKeyUULMVHDIEDVZFP-UHFFFAOYSA-N
XLogP4.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-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 [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 18465176) is [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone is COc1cccc(-c2cc(N3CCN(C(=O)c4ccncc4)CC3)c3sccc3n2)c1.
What is the InChIKey of [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is UULMVHDIEDVZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-30-19-4-2-3-18(15-19)21-16-22(23-20(26-21)7-14-31-23)27-10-12-28(13-11-27)24(29)17-5-8-25-9-6-17/h2-9,14-16H,10-13H2,1H3.
What are the key properties of [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 430.53 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 18465176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).