2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C26H23FN6O — CID 91152899

IUPAC2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCC=CC(C)(F)c1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccnnc1
InChIInChI=1S/C26H23FN6O/c1-3-9-26(2,27)22-13-18(4-6-21(22)19-8-10-31-32-16-19)14-25(34)33-24-7-5-20(15-30-24)23-17-28-11-12-29-23/h3-13,15-17H,14H2,1-2H3,(H,30,33,34)
InChIKeyMTTFUOGYKDLVNS-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.94
Rot. Bonds7

About 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 91152899) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID91152899
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCC=CC(C)(F)c1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccnnc1
InChIInChI=1S/C26H23FN6O/c1-3-9-26(2,27)22-13-18(4-6-21(22)19-8-10-31-32-16-19)14-25(34)33-24-7-5-20(15-30-24)23-17-28-11-12-29-23/h3-13,15-17H,14H2,1-2H3,(H,30,33,34)
InChIKeyMTTFUOGYKDLVNS-UHFFFAOYSA-N
XLogP4.94
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide with MolForge

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Related Compounds

Wnt-974
CID 46926973
Flumatinib
CID 46848036
Cirtuvivint
CID 132056570
Las-101057
CID 16071896
Gnf6231
CID 46927297
US10251893, Cpd 51
CID 46926891
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131
US10251893, Cpd 126
CID 46927132
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 46927726

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 91152899) is 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is CC=CC(C)(F)c1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccnnc1.
What is the InChIKey of 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is MTTFUOGYKDLVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c1-3-9-26(2,27)22-13-18(4-6-21(22)19-8-10-31-32-16-19)14-25(34)33-24-7-5-20(15-30-24)23-17-28-11-12-29-23/h3-13,15-17H,14H2,1-2H3,(H,30,33,34).
What are the key properties of 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 454.51 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 91152899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).