[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

C23H24N6O2 — CID 71800330

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C23H24N6O2/c30-23(20-17-19(25-26-20)21-7-4-16-31-21)29-14-11-27(12-15-29)10-13-28-9-8-24-22(28)18-5-2-1-3-6-18/h1-9,16-17H,10-15H2,(H,25,26)
InChIKeyLJMHFVABJGVXET-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.99
Rot. Bonds6

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 71800330) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID71800330
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C23H24N6O2/c30-23(20-17-19(25-26-20)21-7-4-16-31-21)29-14-11-27(12-15-29)10-13-28-9-8-24-22(28)18-5-2-1-3-6-18/h1-9,16-17H,10-15H2,(H,25,26)
InChIKeyLJMHFVABJGVXET-UHFFFAOYSA-N
XLogP2.99
TPSA83.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]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 [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 71800330) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(CCn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is LJMHFVABJGVXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c30-23(20-17-19(25-26-20)21-7-4-16-31-21)29-14-11-27(12-15-29)10-13-28-9-8-24-22(28)18-5-2-1-3-6-18/h1-9,16-17H,10-15H2,(H,25,26).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71800330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).