N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

C24H26F2N4O2 — CID 59636715

IUPACN-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIInChI=1S/C24H26F2N4O2/c25-24(26)15-19(16-24)28-23(31)21-14-17-4-3-6-20(22(17)32-21)30-12-10-29(11-13-30)9-7-18-5-1-2-8-27-18/h1-6,8,14,19H,7,9-13,15-16H2,(H,28,31)
InChIKeyOCUWZISPCUGWIM-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.72
Rot. Bonds6

About N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 59636715) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID59636715
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIInChI=1S/C24H26F2N4O2/c25-24(26)15-19(16-24)28-23(31)21-14-17-4-3-6-20(22(17)32-21)30-12-10-29(11-13-30)9-7-18-5-1-2-8-27-18/h1-6,8,14,19H,7,9-13,15-16H2,(H,28,31)
InChIKeyOCUWZISPCUGWIM-UHFFFAOYSA-N
XLogP3.72
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-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-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 59636715) is N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is O=C(NC1CC(F)(F)C1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is OCUWZISPCUGWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c25-24(26)15-19(16-24)28-23(31)21-14-17-4-3-6-20(22(17)32-21)30-12-10-29(11-13-30)9-7-18-5-1-2-8-27-18/h1-6,8,14,19H,7,9-13,15-16H2,(H,28,31).
What are the key properties of N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).