2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide

C21H15F3N4O2 — CID 178144049

IUPAC2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
SMILESN#Cc1ccc(COc2cccc(-c3cc(F)c(CC(=O)NN)cc3F)n2)c(F)c1
InChIInChI=1S/C21H15F3N4O2/c22-16-6-12(10-25)4-5-13(16)11-30-21-3-1-2-19(27-21)15-9-17(23)14(7-18(15)24)8-20(29)28-26/h1-7,9H,8,11,26H2,(H,28,29)
InChIKeyVCRYOIBNLZZVKF-UHFFFAOYSA-N
MW412.37 g/mol
LogP3.15
Rot. Bonds6

About 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide

2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide (PubChem CID 178144049) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
PubChem CID178144049
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
SMILESN#Cc1ccc(COc2cccc(-c3cc(F)c(CC(=O)NN)cc3F)n2)c(F)c1
InChIInChI=1S/C21H15F3N4O2/c22-16-6-12(10-25)4-5-13(16)11-30-21-3-1-2-19(27-21)15-9-17(23)14(7-18(15)24)8-20(29)28-26/h1-7,9H,8,11,26H2,(H,28,29)
InChIKeyVCRYOIBNLZZVKF-UHFFFAOYSA-N
XLogP3.15
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
CID 178143871
methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate
CID 155433808
methyl 2-[4-[[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]oxy]-2,5-difluorophenyl]acetate
CID 175522713
4-[(6-chloro-2-pyridinyl)oxymethyl]-3-fluorobenzonitrile
CID 134611185
3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
CID 156731509
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 162244804
4-[[6-[2,5-difluoro-4-[[3-(3-oxo-1,2,4-thiadiazol-5-yl)-1H-1,2,4-triazol-5-yl]methyl]phenyl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 178144047
methyl 3-bromo-4-[[2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetyl]amino]-5-[(4,4-dimethyloxolan-3-yl)amino]benzoate
CID 166087582
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 155190764
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-1-spiro[2.2]pentan-2-ylindole-6-carboxylate
CID 166089784
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(oxolan-3-yl)benzimidazole-5-carboxylic acid
CID 166089746
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(1S,2R)-2-methoxycyclobutyl]benzimidazole-5-carboxylic acid
CID 170323185

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide?
The IUPAC name of 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide (CID 178144049) is 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide?
The canonical SMILES for 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide is N#Cc1ccc(COc2cccc(-c3cc(F)c(CC(=O)NN)cc3F)n2)c(F)c1.
What is the InChIKey of 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide?
The InChIKey is VCRYOIBNLZZVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c22-16-6-12(10-25)4-5-13(16)11-30-21-3-1-2-19(27-21)15-9-17(23)14(7-18(15)24)8-20(29)28-26/h1-7,9H,8,11,26H2,(H,28,29).
What are the key properties of 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide?
2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide has a molecular weight of 412.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide is sourced from PubChem (CID 178144049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).