2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone

C23H23F2N3O3 — CID 66883437

IUPAC2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone
SMILESCc1cn(C)c(C(=O)N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1-c1ccco1
InChIInChI=1S/C23H23F2N3O3/c1-15-14-26(2)22(21(15)19-4-3-11-31-19)23(30)28-9-7-27(8-10-28)20(29)13-16-5-6-17(24)18(25)12-16/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyFDINWKGNIGSMRP-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.40
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone

2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 66883437) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID66883437
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone
SMILESCc1cn(C)c(C(=O)N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1-c1ccco1
InChIInChI=1S/C23H23F2N3O3/c1-15-14-26(2)22(21(15)19-4-3-11-31-19)23(30)28-9-7-27(8-10-28)20(29)13-16-5-6-17(24)18(25)12-16/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyFDINWKGNIGSMRP-UHFFFAOYSA-N
XLogP3.40
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone 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 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone (CID 66883437) is 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone is Cc1cn(C)c(C(=O)N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1-c1ccco1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is FDINWKGNIGSMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c1-15-14-26(2)22(21(15)19-4-3-11-31-19)23(30)28-9-7-27(8-10-28)20(29)13-16-5-6-17(24)18(25)12-16/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone?
2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 427.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-[4-[3-(furan-2-yl)-1,4-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 66883437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).