methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate

C23H19FN2O3 — CID 155433808

IUPACmethyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc(OCc3ccc(C#N)cc3F)n2)c(C)c1
InChIInChI=1S/C23H19FN2O3/c1-15-10-16(12-23(27)28-2)7-9-19(15)21-4-3-5-22(26-21)29-14-18-8-6-17(13-25)11-20(18)24/h3-11H,12,14H2,1-2H3
InChIKeyPCBJBDAPOPLMFF-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.36
Rot. Bonds6

About methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate

methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate (PubChem CID 155433808) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate
PubChem CID155433808
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Namemethyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc(OCc3ccc(C#N)cc3F)n2)c(C)c1
InChIInChI=1S/C23H19FN2O3/c1-15-10-16(12-23(27)28-2)7-9-19(15)21-4-3-5-22(26-21)29-14-18-8-6-17(13-25)11-20(18)24/h3-11H,12,14H2,1-2H3
InChIKeyPCBJBDAPOPLMFF-UHFFFAOYSA-N
XLogP4.36
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate with MolForge

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Related Compounds

methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 156731179
methyl 2-[4-[[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]oxy]-2,5-difluorophenyl]acetate
CID 175522713
2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
CID 178144049
3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
CID 156731509
4-[(6-chloro-2-pyridinyl)oxymethyl]-3-fluorobenzonitrile
CID 134611185
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]thieno[2,3-d]imidazole-5-carboxylate
CID 164544871
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 162244804
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
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-6-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 160870017
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid
CID 164544868
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-3-methylphenyl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 170391140
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate?
The IUPAC name of methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate (CID 155433808) is methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate.
What is the SMILES notation for methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate?
The canonical SMILES for methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate is COC(=O)Cc1ccc(-c2cccc(OCc3ccc(C#N)cc3F)n2)c(C)c1.
What is the InChIKey of methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate?
The InChIKey is PCBJBDAPOPLMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-15-10-16(12-23(27)28-2)7-9-19(15)21-4-3-5-22(26-21)29-14-18-8-6-17(13-25)11-20(18)24/h3-11H,12,14H2,1-2H3.
What are the key properties of methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate?
methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate has a molecular weight of 390.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate is sourced from PubChem (CID 155433808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).