(4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone

C23H23N5O — CID 46961673

IUPAC(4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(-n3cccn3)c(C#Cc3ccccn3)c2)CC1
InChIInChI=1S/C23H23N5O/c1-2-26-14-16-27(17-15-26)23(29)20-8-10-22(28-13-5-12-25-28)19(18-20)7-9-21-6-3-4-11-24-21/h3-6,8,10-13,18H,2,14-17H2,1H3
InChIKeyVHKFRABCNGUGAB-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.44
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone

(4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone (PubChem CID 46961673) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone
PubChem CID46961673
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(-n3cccn3)c(C#Cc3ccccn3)c2)CC1
InChIInChI=1S/C23H23N5O/c1-2-26-14-16-27(17-15-26)23(29)20-8-10-22(28-13-5-12-25-28)19(18-20)7-9-21-6-3-4-11-24-21/h3-6,8,10-13,18H,2,14-17H2,1H3
InChIKeyVHKFRABCNGUGAB-UHFFFAOYSA-N
XLogP2.44
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxypiperidin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 46961676
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide
CID 46953834
N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide
CID 92607412
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide
CID 51592709
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-methoxy-3-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 69001308
N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide
CID 46953828
[4-methoxy-3-(2-pyridin-2-ylethynyl)phenyl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone
CID 53317269
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-[4-methyl-3-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 58024923
4-[4-methoxy-3-(2-pyridin-2-ylethynyl)benzoyl]-1-phenylpiperazin-2-one
CID 69001288
(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-methoxy-3-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 46945207
[4-(4-chlorophthalazin-1-yl)piperazin-1-yl]-[4-methoxy-3-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 87649884

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone (CID 46961673) is (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone is CCN1CCN(C(=O)c2ccc(-n3cccn3)c(C#Cc3ccccn3)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone?
The InChIKey is VHKFRABCNGUGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-26-14-16-27(17-15-26)23(29)20-8-10-22(28-13-5-12-25-28)19(18-20)7-9-21-6-3-4-11-24-21/h3-6,8,10-13,18H,2,14-17H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone?
(4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone has a molecular weight of 385.47 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone is sourced from PubChem (CID 46961673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).