N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

C28H25F3N4O2 — CID 118464759

IUPACN-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C28H25F3N4O2/c29-28(30,31)22-6-7-24(35-16-14-34(15-17-35)19-20-4-2-1-3-5-20)23(18-22)33-27(36)26-9-8-25(37-26)21-10-12-32-13-11-21/h1-13,18H,14-17,19H2,(H,33,36)
InChIKeyQNKIPRSSBHVECB-UHFFFAOYSA-N
MW506.53 g/mol
LogP5.93
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 118464759) has the molecular formula C28H25F3N4O2 and a molecular weight of 506.53 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID118464759
Molecular FormulaC28H25F3N4O2
Molecular Weight506.53 g/mol
Exact Mass506.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C28H25F3N4O2/c29-28(30,31)22-6-7-24(35-16-14-34(15-17-35)19-20-4-2-1-3-5-20)23(18-22)33-27(36)26-9-8-25(37-26)21-10-12-32-13-11-21/h1-13,18H,14-17,19H2,(H,33,36)
InChIKeyQNKIPRSSBHVECB-UHFFFAOYSA-N
XLogP5.93
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide 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 N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (CID 118464759) is N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccncc2)o1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is QNKIPRSSBHVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O2/c29-28(30,31)22-6-7-24(35-16-14-34(15-17-35)19-20-4-2-1-3-5-20)23(18-22)33-27(36)26-9-8-25(37-26)21-10-12-32-13-11-21/h1-13,18H,14-17,19H2,(H,33,36).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 506.53 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 118464759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).