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

C25H21N5O2S — CID 46173055

IUPAC[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C25H21N5O2S/c31-25(19-8-14-33-17-19)29-11-9-28(10-12-29)24-16-21(22-7-4-13-32-22)26-23-15-20(27-30(23)24)18-5-2-1-3-6-18/h1-8,13-17H,9-12H2
InChIKeyOKPQSTQHIJZSEL-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.68
Rot. Bonds4

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

[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 46173055) has the molecular formula C25H21N5O2S and a molecular weight of 455.54 g/mol. Its IUPAC name is [4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID46173055
Molecular FormulaC25H21N5O2S
Molecular Weight455.54 g/mol
Exact Mass455.14
IUPAC Name[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C25H21N5O2S/c31-25(19-8-14-33-17-19)29-11-9-28(10-12-29)24-16-21(22-7-4-13-32-22)26-23-15-20(27-30(23)24)18-5-2-1-3-6-18/h1-8,13-17H,9-12H2
InChIKeyOKPQSTQHIJZSEL-UHFFFAOYSA-N
XLogP4.68
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-(furan-2-yl)-2-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-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 46173055) is [4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1.
What is the InChIKey of [4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is OKPQSTQHIJZSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S/c31-25(19-8-14-33-17-19)29-11-9-28(10-12-29)24-16-21(22-7-4-13-32-22)26-23-15-20(27-30(23)24)18-5-2-1-3-6-18/h1-8,13-17H,9-12H2.
What are the key properties of [4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 455.54 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 46173055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).