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

C28H25N5O3 — CID 44640183

IUPACfuran-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1-c1cc2nc(-c3ccccc3)cc(N3CCN(C(=O)c4ccoc4)CC3)n2n1
InChIInChI=1S/C28H25N5O3/c1-35-25-10-6-5-9-22(25)24-17-26-29-23(20-7-3-2-4-8-20)18-27(33(26)30-24)31-12-14-32(15-13-31)28(34)21-11-16-36-19-21/h2-11,16-19H,12-15H2,1H3
InChIKeySFNWNSAJWDYPJC-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.63
Rot. Bonds5

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

furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (PubChem CID 44640183) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
PubChem CID44640183
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Namefuran-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1-c1cc2nc(-c3ccccc3)cc(N3CCN(C(=O)c4ccoc4)CC3)n2n1
InChIInChI=1S/C28H25N5O3/c1-35-25-10-6-5-9-22(25)24-17-26-29-23(20-7-3-2-4-8-20)18-27(33(26)30-24)31-12-14-32(15-13-31)28(34)21-11-16-36-19-21/h2-11,16-19H,12-15H2,1H3
InChIKeySFNWNSAJWDYPJC-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

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

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (CID 44640183) is furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is COc1ccccc1-c1cc2nc(-c3ccccc3)cc(N3CCN(C(=O)c4ccoc4)CC3)n2n1.
What is the InChIKey of furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The InChIKey is SFNWNSAJWDYPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-35-25-10-6-5-9-22(25)24-17-26-29-23(20-7-3-2-4-8-20)18-27(33(26)30-24)31-12-14-32(15-13-31)28(34)21-11-16-36-19-21/h2-11,16-19H,12-15H2,1H3.
What are the key properties of furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
furan-3-yl-[4-[2-(2-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-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 44640183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).