[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone

C21H15FN4O2 — CID 10177401

IUPAC[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H15FN4O2/c1-28-18-5-3-2-4-17(18)21(27)26-20(15-10-12-23-13-11-15)19(24-25-26)14-6-8-16(22)9-7-14/h2-13H,1H3
InChIKeyZJWJUSLWFLZCQB-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.84
Rot. Bonds4

About [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone

[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 10177401) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone
PubChem CID10177401
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H15FN4O2/c1-28-18-5-3-2-4-17(18)21(27)26-20(15-10-12-23-13-11-15)19(24-25-26)14-6-8-16(22)9-7-14/h2-13H,1H3
InChIKeyZJWJUSLWFLZCQB-UHFFFAOYSA-N
XLogP3.84
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone (CID 10177401) is [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is ZJWJUSLWFLZCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-28-18-5-3-2-4-17(18)21(27)26-20(15-10-12-23-13-11-15)19(24-25-26)14-6-8-16(22)9-7-14/h2-13H,1H3.
What are the key properties of [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone?
[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 374.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 10177401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).