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

C28H25N5O3 — CID 44607592

IUPACfuran-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1
InChIInChI=1S/C28H25N5O3/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
InChIKeyQPGNQMAWRUPJPY-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.63
Rot. Bonds5

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

furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (PubChem CID 44607592) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
PubChem CID44607592
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Namefuran-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1
InChIInChI=1S/C28H25N5O3/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
InChIKeyQPGNQMAWRUPJPY-UHFFFAOYSA-N
XLogP4.63
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (CID 44607592) is furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1.
What is the InChIKey of furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The InChIKey is QPGNQMAWRUPJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/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 furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone has a molecular weight of 479.54 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 44607592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).