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

C24H24N4O2S — CID 3245961

IUPAC[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccc5)CC4)cc23)c1
InChIInChI=1S/C24H24N4O2S/c1-26-24-20(22(25-26)17-7-6-10-19(15-17)30-2)16-21(31-24)23(29)28-13-11-27(12-14-28)18-8-4-3-5-9-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAUBPBVNHMHBUJA-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.27
Rot. Bonds4

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

[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3245961) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID3245961
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccc5)CC4)cc23)c1
InChIInChI=1S/C24H24N4O2S/c1-26-24-20(22(25-26)17-7-6-10-19(15-17)30-2)16-21(31-24)23(29)28-13-11-27(12-14-28)18-8-4-3-5-9-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAUBPBVNHMHBUJA-UHFFFAOYSA-N
XLogP4.27
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 3245961) is [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is COc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccc5)CC4)cc23)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is AUBPBVNHMHBUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-26-24-20(22(25-26)17-7-6-10-19(15-17)30-2)16-21(31-24)23(29)28-13-11-27(12-14-28)18-8-4-3-5-9-18/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 432.55 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3245961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).