(2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate

C24H26FN7O4 — CID 86692657

About (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate

(2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate (PubChem CID 86692657) has the molecular formula C24H26FN7O4 and a molecular weight of 495.52 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate
• PubChem CID: 86692657
• Molecular Formula: C24H26FN7O4
• Molecular Weight: 495.52 g/mol
• Exact Mass: 495.20
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate
• SMILES: CC(C)(C(=O)ON1C(=O)CCC1=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
• InChI: InChI=1S/C24H26FN7O4/c1-24(2,23(35)36-32-20(33)7-8-21(32)34)30-11-3-4-16(14-30)28-18-9-10-26-22(29-18)17-12-27-19-6-5-15(25)13-31(17)19/h5-6,9-10,12-13,16H,3-4,7-8,11,14H2,1-2H3,(H,26,28,29)/t16-/m1/s1
• InChIKey: TWNUYFBHRUAGSI-MRXNPFEDSA-N
• XLogP: 2.19
• TPSA: 122.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.52
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate (CID 86692657) is (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate is CC(C)(C(=O)ON1C(=O)CCC1=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate?

The InChIKey is TWNUYFBHRUAGSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26FN7O4/c1-24(2,23(35)36-32-20(33)7-8-21(32)34)30-11-3-4-16(14-30)28-18-9-10-26-22(29-18)17-12-27-19-6-5-15(25)13-31(17)19/h5-6,9-10,12-13,16H,3-4,7-8,11,14H2,1-2H3,(H,26,28,29)/t16-/m1/s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate?

(2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate has a molecular weight of 495.52 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 86692657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).