[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone

C24H21FN6O3 — CID 158363825

About [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone

[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 158363825) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone
• PubChem CID: 158363825
• Molecular Formula: C24H21FN6O3
• Molecular Weight: 460.47 g/mol
• Exact Mass: 460.17
• IUPAC Name: [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone
• SMILES: O=C(c1cnco1)N1CC=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
• InChI: InChI=1S/C24H21FN6O3/c25-19-2-3-20-17(7-10-33-20)16(19)1-4-22-27-11-18(23-29-28-13-31(22)23)15-5-8-30(9-6-15)24(32)21-12-26-14-34-21/h2-3,5,11-14H,1,4,6-10H2
• InChIKey: ZJIKZUNACAFRGG-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 98.65 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.47
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone?

The IUPAC name of [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 158363825) is [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone.

What is the SMILES notation for [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone?

The canonical SMILES for [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CC=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.

What is the InChIKey of [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone?

The InChIKey is ZJIKZUNACAFRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c25-19-2-3-20-17(7-10-33-20)16(19)1-4-22-27-11-18(23-29-28-13-31(22)23)15-5-8-30(9-6-15)24(32)21-12-26-14-34-21/h2-3,5,11-14H,1,4,6-10H2.

What are the key properties of [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone?

[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 460.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 158363825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).