[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H23N5O2S — CID 3242220

IUPAC[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccn5)CC4)cc23)c1
InChIInChI=1S/C23H23N5O2S/c1-26-23-18(21(25-26)16-6-5-7-17(14-16)30-2)15-19(31-23)22(29)28-12-10-27(11-13-28)20-8-3-4-9-24-20/h3-9,14-15H,10-13H2,1-2H3
InChIKeyATFJZKDXNYHJPH-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.67
Rot. Bonds4

About [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3242220) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3242220
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccn5)CC4)cc23)c1
InChIInChI=1S/C23H23N5O2S/c1-26-23-18(21(25-26)16-6-5-7-17(14-16)30-2)15-19(31-23)22(29)28-12-10-27(11-13-28)20-8-3-4-9-24-20/h3-9,14-15H,10-13H2,1-2H3
InChIKeyATFJZKDXNYHJPH-UHFFFAOYSA-N
XLogP3.67
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone 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 [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3242220) is [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccn5)CC4)cc23)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ATFJZKDXNYHJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-26-23-18(21(25-26)16-6-5-7-17(14-16)30-2)15-19(31-23)22(29)28-12-10-27(11-13-28)20-8-3-4-9-24-20/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 433.54 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3242220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).