[4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C22H19FN6O — CID 97362233

IUPAC[4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1
InChIInChI=1S/C22H19FN6O/c23-18-3-1-2-16(12-18)17-4-5-20-26-21(27-29(20)14-17)15-6-10-28(11-7-15)22(30)19-13-24-8-9-25-19/h1-5,8-9,12-15H,6-7,10-11H2
InChIKeyQYCRAJFIVXZGRR-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.35
Rot. Bonds3

About [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 97362233) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID97362233
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name[4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1
InChIInChI=1S/C22H19FN6O/c23-18-3-1-2-16(12-18)17-4-5-20-26-21(27-29(20)14-17)15-6-10-28(11-7-15)22(30)19-13-24-8-9-25-19/h1-5,8-9,12-15H,6-7,10-11H2
InChIKeyQYCRAJFIVXZGRR-UHFFFAOYSA-N
XLogP3.35
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 97362233) is [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1.
What is the InChIKey of [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is QYCRAJFIVXZGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-18-3-1-2-16(12-18)17-4-5-20-26-21(27-29(20)14-17)15-6-10-28(11-7-15)22(30)19-13-24-8-9-25-19/h1-5,8-9,12-15H,6-7,10-11H2.
What are the key properties of [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 402.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97362233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).