6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine

C25H21FN6 — CID 23433733

IUPAC6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(-c2ncn(C3CCNC3)c2-c2ccc3nnc(-c4ccccc4)n3c2)cc1
InChIInChI=1S/C25H21FN6/c26-20-9-6-17(7-10-20)23-24(32(16-28-23)21-12-13-27-14-21)19-8-11-22-29-30-25(31(22)15-19)18-4-2-1-3-5-18/h1-11,15-16,21,27H,12-14H2
InChIKeyTWMWHRLQMOZFDE-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.60
Rot. Bonds4

About 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine

6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 23433733) has the molecular formula C25H21FN6 and a molecular weight of 424.48 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID23433733
Molecular FormulaC25H21FN6
Molecular Weight424.48 g/mol
Exact Mass424.18
IUPAC Name6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(-c2ncn(C3CCNC3)c2-c2ccc3nnc(-c4ccccc4)n3c2)cc1
InChIInChI=1S/C25H21FN6/c26-20-9-6-17(7-10-20)23-24(32(16-28-23)21-12-13-27-14-21)19-8-11-22-29-30-25(31(22)15-19)18-4-2-1-3-5-18/h1-11,15-16,21,27H,12-14H2
InChIKeyTWMWHRLQMOZFDE-UHFFFAOYSA-N
XLogP4.60
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine (CID 23433733) is 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc(-c2ncn(C3CCNC3)c2-c2ccc3nnc(-c4ccccc4)n3c2)cc1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is TWMWHRLQMOZFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6/c26-20-9-6-17(7-10-20)23-24(32(16-28-23)21-12-13-27-14-21)19-8-11-22-29-30-25(31(22)15-19)18-4-2-1-3-5-18/h1-11,15-16,21,27H,12-14H2.
What are the key properties of 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 424.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 23433733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).