[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone

C21H15FN4O2 — CID 10177402

IUPAC[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)n2nnc(-c3ccc(F)cc3)c2-c2ccncc2)c1
InChIInChI=1S/C21H15FN4O2/c1-28-18-4-2-3-16(13-18)21(27)26-20(15-9-11-23-12-10-15)19(24-25-26)14-5-7-17(22)8-6-14/h2-13H,1H3
InChIKeyYZXWLVRDLQULPN-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.84
Rot. Bonds4

About [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone

[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 10177402) 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]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone
PubChem CID10177402
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)n2nnc(-c3ccc(F)cc3)c2-c2ccncc2)c1
InChIInChI=1S/C21H15FN4O2/c1-28-18-4-2-3-16(13-18)21(27)26-20(15-9-11-23-12-10-15)19(24-25-26)14-5-7-17(22)8-6-14/h2-13H,1H3
InChIKeyYZXWLVRDLQULPN-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]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone (CID 10177402) is [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)n2nnc(-c3ccc(F)cc3)c2-c2ccncc2)c1.
What is the InChIKey of [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is YZXWLVRDLQULPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-28-18-4-2-3-16(13-18)21(27)26-20(15-9-11-23-12-10-15)19(24-25-26)14-5-7-17(22)8-6-14/h2-13H,1H3.
What are the key properties of [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-methoxyphenyl)methanone?
[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(3-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]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 10177402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).