[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H23N5OS — CID 3660331

IUPAC[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-n2nc(C)c3cc(C(=O)N4CCN(c5ccccn5)CC4)sc32)cc1
InChIInChI=1S/C23H23N5OS/c1-16-6-8-18(9-7-16)28-23-19(17(2)25-28)15-20(30-23)22(29)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10,15H,11-14H2,1-2H3
InChIKeyMIAFCUDKIMZBIR-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.06
Rot. Bonds3

About [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3660331) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3660331
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-n2nc(C)c3cc(C(=O)N4CCN(c5ccccn5)CC4)sc32)cc1
InChIInChI=1S/C23H23N5OS/c1-16-6-8-18(9-7-16)28-23-19(17(2)25-28)15-20(30-23)22(29)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10,15H,11-14H2,1-2H3
InChIKeyMIAFCUDKIMZBIR-UHFFFAOYSA-N
XLogP4.06
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-methyl-1-(4-methylphenyl)thieno[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

Related Compounds

[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112790787
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51305041
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2017715
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16569443
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 138994139
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 1076000
(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 60510046
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2030782
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2018052

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3660331) is [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccc(-n2nc(C)c3cc(C(=O)N4CCN(c5ccccn5)CC4)sc32)cc1.
What is the InChIKey of [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MIAFCUDKIMZBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-16-6-8-18(9-7-16)28-23-19(17(2)25-28)15-20(30-23)22(29)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 417.54 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3660331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).