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

C26H30N6O2 — CID 59636748

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccnn1C
InChIInChI=1S/C26H30N6O2/c1-19(22-9-12-28-30(22)2)29-26(33)24-18-20-6-5-8-23(25(20)34-24)32-16-14-31(15-17-32)13-10-21-7-3-4-11-27-21/h3-9,11-12,18-19H,10,13-17H2,1-2H3,(H,29,33)
InChIKeyXOVZEOLIOJODHZ-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.42
Rot. Bonds7

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

N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 59636748) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID59636748
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccnn1C
InChIInChI=1S/C26H30N6O2/c1-19(22-9-12-28-30(22)2)29-26(33)24-18-20-6-5-8-23(25(20)34-24)32-16-14-31(15-17-32)13-10-21-7-3-4-11-27-21/h3-9,11-12,18-19H,10,13-17H2,1-2H3,(H,29,33)
InChIKeyXOVZEOLIOJODHZ-UHFFFAOYSA-N
XLogP3.42
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-methylpyrazol-3-yl)ethyl]-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-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 59636748) is N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is XOVZEOLIOJODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-19(22-9-12-28-30(22)2)29-26(33)24-18-20-6-5-8-23(25(20)34-24)32-16-14-31(15-17-32)13-10-21-7-3-4-11-27-21/h3-9,11-12,18-19H,10,13-17H2,1-2H3,(H,29,33).
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).