(2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide

C25H21N5O4 — CID 155549878

IUPAC(2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCN(c4cnccn4)CC3)cc1)C2=O
InChIInChI=1S/C25H21N5O4/c26-24(32)19-3-1-2-18-22(31)20(34-23(18)19)14-16-4-6-17(7-5-16)25(33)30-12-10-29(11-13-30)21-15-27-8-9-28-21/h1-9,14-15H,10-13H2,(H2,26,32)/b20-14-
InChIKeyILNOBOZHDONPIV-ZHZULCJRSA-N
MW455.47 g/mol
LogP2.15
Rot. Bonds4

About (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide

(2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide (PubChem CID 155549878) has the molecular formula C25H21N5O4 and a molecular weight of 455.47 g/mol. Its IUPAC name is (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
PubChem CID155549878
Molecular FormulaC25H21N5O4
Molecular Weight455.47 g/mol
Exact Mass455.16
IUPAC Name(2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCN(c4cnccn4)CC3)cc1)C2=O
InChIInChI=1S/C25H21N5O4/c26-24(32)19-3-1-2-18-22(31)20(34-23(18)19)14-16-4-6-17(7-5-16)25(33)30-12-10-29(11-13-30)21-15-27-8-9-28-21/h1-9,14-15H,10-13H2,(H2,26,32)/b20-14-
InChIKeyILNOBOZHDONPIV-ZHZULCJRSA-N
XLogP2.15
TPSA118.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3-Methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 24817845
(2Z)-3-oxo-2-[[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155512592
(2Z)-3-oxo-2-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155514140
(2Z)-2-[[3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155517403
(2Z)-2-[[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155523123
(2Z)-2-[[4-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155526203
(2Z)-3-oxo-2-[[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155536588
(2Z)-3-oxo-2-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155560098
(2Z)-3-oxo-2-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155565373
(2Z)-3-oxo-2-[[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155566057
(2Z)-3-oxo-2-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155568616
(2Z)-3-oxo-2-[[4-(4-pyrimidin-2-ylpiperidine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155530382

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide?
The IUPAC name of (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide (CID 155549878) is (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide?
The canonical SMILES for (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide is NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCN(c4cnccn4)CC3)cc1)C2=O.
What is the InChIKey of (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide?
The InChIKey is ILNOBOZHDONPIV-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H21N5O4/c26-24(32)19-3-1-2-18-22(31)20(34-23(18)19)14-16-4-6-17(7-5-16)25(33)30-12-10-29(11-13-30)21-15-27-8-9-28-21/h1-9,14-15H,10-13H2,(H2,26,32)/b20-14-.
What are the key properties of (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide?
(2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-oxo-2-[[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 155549878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).