6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole

C23H21FN6O — CID 59457797

IUPAC6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
SMILESCN1CCC(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1
InChIInChI=1S/C23H21FN6O/c1-28-10-8-16(9-11-28)22-27-26-19-7-4-17(14-30(19)22)21-20(15-2-5-18(24)6-3-15)25-23-29(21)12-13-31-23/h2-7,12-14,16H,8-11H2,1H3
InChIKeyLPCLMSMZUCTEKY-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.25
Rot. Bonds3

About 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole

6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole (PubChem CID 59457797) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
PubChem CID59457797
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
SMILESCN1CCC(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1
InChIInChI=1S/C23H21FN6O/c1-28-10-8-16(9-11-28)22-27-26-19-7-4-17(14-30(19)22)21-20(15-2-5-18(24)6-3-15)25-23-29(21)12-13-31-23/h2-7,12-14,16H,8-11H2,1H3
InChIKeyLPCLMSMZUCTEKY-UHFFFAOYSA-N
XLogP4.25
TPSA63.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole (CID 59457797) is 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole is CN1CCC(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The InChIKey is LPCLMSMZUCTEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-28-10-8-16(9-11-28)22-27-26-19-7-4-17(14-30(19)22)21-20(15-2-5-18(24)6-3-15)25-23-29(21)12-13-31-23/h2-7,12-14,16H,8-11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole has a molecular weight of 416.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59457797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).