6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C23H23FN4O — CID 97362223

IUPAC6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)o1
InChIInChI=1S/C23H23FN4O/c1-16-5-7-21(29-16)15-27-11-9-17(10-12-27)23-25-22-8-6-19(14-28(22)26-23)18-3-2-4-20(24)13-18/h2-8,13-14,17H,9-12,15H2,1H3
InChIKeyKJSKPJKUZQPZOO-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.82
Rot. Bonds4

About 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 97362223) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID97362223
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)o1
InChIInChI=1S/C23H23FN4O/c1-16-5-7-21(29-16)15-27-11-9-17(10-12-27)23-25-22-8-6-19(14-28(22)26-23)18-3-2-4-20(24)13-18/h2-8,13-14,17H,9-12,15H2,1H3
InChIKeyKJSKPJKUZQPZOO-UHFFFAOYSA-N
XLogP4.82
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 97362223) is 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)o1.
What is the InChIKey of 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KJSKPJKUZQPZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16-5-7-21(29-16)15-27-11-9-17(10-12-27)23-25-22-8-6-19(14-28(22)26-23)18-3-2-4-20(24)13-18/h2-8,13-14,17H,9-12,15H2,1H3.
What are the key properties of 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 390.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 97362223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).