2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone

C26H28N10O2 — CID 167377288

About 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone

2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 167377288) has the molecular formula C26H28N10O2 and a molecular weight of 512.58 g/mol. Its IUPAC name is 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

• Compound Name: 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
• PubChem CID: 167377288
• Molecular Formula: C26H28N10O2
• Molecular Weight: 512.58 g/mol
• Exact Mass: 512.24
• IUPAC Name: 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
• SMILES: CN1CC(c2ccc3c(c2)CC(Nc2ncc(-c4nnc(CC(=O)N5CCc6n[nH]nc6C5)o4)cn2)C3)C1
• InChI: InChI=1S/C26H28N10O2/c1-35-12-19(13-35)15-2-3-16-7-20(8-17(16)6-15)29-26-27-10-18(11-28-26)25-33-32-23(38-25)9-24(37)36-5-4-21-22(14-36)31-34-30-21/h2-3,6,10-11,19-20H,4-5,7-9,12-14H2,1H3,(H,27,28,29)(H,30,31,34)
• InChIKey: PQEUHHGSGCATMX-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 141.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.58
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?

The IUPAC name of 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone (CID 167377288) is 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone.

What is the SMILES notation for 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?

The canonical SMILES for 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone is CN1CC(c2ccc3c(c2)CC(Nc2ncc(-c4nnc(CC(=O)N5CCc6n[nH]nc6C5)o4)cn2)C3)C1.

What is the InChIKey of 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?

The InChIKey is PQEUHHGSGCATMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N10O2/c1-35-12-19(13-35)15-2-3-16-7-20(8-17(16)6-15)29-26-27-10-18(11-28-26)25-33-32-23(38-25)9-24(37)36-5-4-21-22(14-36)31-34-30-21/h2-3,6,10-11,19-20H,4-5,7-9,12-14H2,1H3,(H,27,28,29)(H,30,31,34).

What are the key properties of 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?

2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 512.58 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 167377288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).