[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone

C28H25N5O2S — CID 44607591

IUPAC[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCOc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccsc5)CC4)n3n2)cc1
InChIInChI=1S/C28H25N5O2S/c1-35-23-9-7-21(8-10-23)25-17-26-29-24(20-5-3-2-4-6-20)18-27(33(26)30-25)31-12-14-32(15-13-31)28(34)22-11-16-36-19-22/h2-11,16-19H,12-15H2,1H3
InChIKeyGZZGUYFHDJOZBD-UHFFFAOYSA-N
MW495.61 g/mol
LogP5.10
Rot. Bonds5

About [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone

[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 44607591) has the molecular formula C28H25N5O2S and a molecular weight of 495.61 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID44607591
Molecular FormulaC28H25N5O2S
Molecular Weight495.61 g/mol
Exact Mass495.17
IUPAC Name[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCOc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccsc5)CC4)n3n2)cc1
InChIInChI=1S/C28H25N5O2S/c1-35-23-9-7-21(8-10-23)25-17-26-29-24(20-5-3-2-4-6-20)18-27(33(26)30-25)31-12-14-32(15-13-31)28(34)22-11-16-36-19-22/h2-11,16-19H,12-15H2,1H3
InChIKeyGZZGUYFHDJOZBD-UHFFFAOYSA-N
XLogP5.10
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.61
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-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-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 44607591) is [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone is COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccsc5)CC4)n3n2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is GZZGUYFHDJOZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2S/c1-35-23-9-7-21(8-10-23)25-17-26-29-24(20-5-3-2-4-6-20)18-27(33(26)30-25)31-12-14-32(15-13-31)28(34)22-11-16-36-19-22/h2-11,16-19H,12-15H2,1H3.
What are the key properties of [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 495.61 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 44607591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).