[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C25H20FN5O — CID 71793903

IUPAC[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1nnn(-c2ccccc2F)c1-c1ccccn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C25H20FN5O/c26-20-10-4-5-12-22(20)31-24(21-11-6-7-15-27-21)23(28-29-31)25(32)30-16-13-19(14-17-30)18-8-2-1-3-9-18/h1-13,15H,14,16-17H2
InChIKeyJSQBDYKRLFUZIS-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.40
Rot. Bonds4

About [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 71793903) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID71793903
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1nnn(-c2ccccc2F)c1-c1ccccn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C25H20FN5O/c26-20-10-4-5-12-22(20)31-24(21-11-6-7-15-27-21)23(28-29-31)25(32)30-16-13-19(14-17-30)18-8-2-1-3-9-18/h1-13,15H,14,16-17H2
InChIKeyJSQBDYKRLFUZIS-UHFFFAOYSA-N
XLogP4.40
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 71793903) is [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1nnn(-c2ccccc2F)c1-c1ccccn1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is JSQBDYKRLFUZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c26-20-10-4-5-12-22(20)31-24(21-11-6-7-15-27-21)23(28-29-31)25(32)30-16-13-19(14-17-30)18-8-2-1-3-9-18/h1-13,15H,14,16-17H2.
What are the key properties of [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 425.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 71793903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).