N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine

C26H24FN7O2 — CID 59604122

IUPACN-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C26H24FN7O2/c1-33(15-16-35-2)17-18-7-9-20(10-8-18)25-29-26(36-31-25)23-24(19-11-13-28-14-12-19)34(32-30-23)22-6-4-3-5-21(22)27/h3-14H,15-17H2,1-2H3
InChIKeyLIKPDCYNWPJPRT-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.26
Rot. Bonds9

About N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine

N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 59604122) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine
PubChem CID59604122
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC NameN-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C26H24FN7O2/c1-33(15-16-35-2)17-18-7-9-20(10-8-18)25-29-26(36-31-25)23-24(19-11-13-28-14-12-19)34(32-30-23)22-6-4-3-5-21(22)27/h3-14H,15-17H2,1-2H3
InChIKeyLIKPDCYNWPJPRT-UHFFFAOYSA-N
XLogP4.26
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine with MolForge

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Related Compounds

N-Ethyl-N-{2-[5-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 71007308
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 72699855
N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
CID 72700366
N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700462
5-[1-(2-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 16025550
5-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 16025552
1-(3,4-difluorobenzoyl)-4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91892062
[(2S)-2-[[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 156018304
[4-[(4-Methylphenyl)methyl]piperazin-1-yl]-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanone
CID 168286895
5-(1-Cyclohexyl-5-pyridin-4-ylpyrazol-4-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 49835536
3-(2,5-Difluorophenyl)-5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-1,2,4-oxadiazole
CID 49835636
5-(1-Cyclohexyl-5-pyridin-4-ylpyrazol-4-yl)-3-(2,5-difluorophenyl)-1,2,4-oxadiazole
CID 49835638

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine (CID 59604122) is N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.
What is the InChIKey of N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is LIKPDCYNWPJPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-33(15-16-35-2)17-18-7-9-20(10-8-18)25-29-26(36-31-25)23-24(19-11-13-28-14-12-19)34(32-30-23)22-6-4-3-5-21(22)27/h3-14H,15-17H2,1-2H3.
What are the key properties of N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine?
N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 485.52 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 59604122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).