[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C23H20N6O2 — CID 154840813

About [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 154840813) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
• PubChem CID: 154840813
• Molecular Formula: C23H20N6O2
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.16
• IUPAC Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1cn[nH]c1-c1cc2ccccc2o1)N1CCC(c2nnc3ccccn23)CC1
• InChI: InChI=1S/C23H20N6O2/c30-23(17-14-24-26-21(17)19-13-16-5-1-2-6-18(16)31-19)28-11-8-15(9-12-28)22-27-25-20-7-3-4-10-29(20)22/h1-7,10,13-15H,8-9,11-12H2,(H,24,26)
• InChIKey: YLABJHNXFARWNA-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?

The IUPAC name of [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 154840813) is [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?

The canonical SMILES for [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1cn[nH]c1-c1cc2ccccc2o1)N1CCC(c2nnc3ccccn23)CC1.

What is the InChIKey of [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?

The InChIKey is YLABJHNXFARWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c30-23(17-14-24-26-21(17)19-13-16-5-1-2-6-18(16)31-19)28-11-8-15(9-12-28)22-27-25-20-7-3-4-10-29(20)22/h1-7,10,13-15H,8-9,11-12H2,(H,24,26).

What are the key properties of [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?

[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 412.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154840813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).