4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine

C24H22N6O2 — CID 146570395

About 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine

4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine (PubChem CID 146570395) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine.

Molecular Properties

• Compound Name: 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
• PubChem CID: 146570395
• Molecular Formula: C24H22N6O2
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.18
• IUPAC Name: 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
• SMILES: c1ccc(C2CN=C(c3ncc(-c4c[nH]c5ncc(N6CCOCC6)cc45)cn3)O2)cc1
• InChI: InChI=1S/C24H22N6O2/c1-2-4-16(5-3-1)21-15-29-24(32-21)23-25-11-17(12-26-23)20-14-28-22-19(20)10-18(13-27-22)30-6-8-31-9-7-30/h1-5,10-14,21H,6-9,15H2,(H,27,28)
• InChIKey: NZLLVEXXRVWXKJ-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 88.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine?

The IUPAC name of 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine (CID 146570395) is 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine.

What is the SMILES notation for 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine?

The canonical SMILES for 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine is c1ccc(C2CN=C(c3ncc(-c4c[nH]c5ncc(N6CCOCC6)cc45)cn3)O2)cc1.

What is the InChIKey of 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine?

The InChIKey is NZLLVEXXRVWXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-2-4-16(5-3-1)21-15-29-24(32-21)23-25-11-17(12-26-23)20-14-28-22-19(20)10-18(13-27-22)30-6-8-31-9-7-30/h1-5,10-14,21H,6-9,15H2,(H,27,28).

What are the key properties of 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine?

4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine has a molecular weight of 426.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 146570395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).