[5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C26H36N8O3 — CID 134324465

About [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 134324465) has the molecular formula C26H36N8O3 and a molecular weight of 508.63 g/mol. Its IUPAC name is [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
• PubChem CID: 134324465
• Molecular Formula: C26H36N8O3
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.29
• IUPAC Name: [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
• SMILES: Cc1nn(C)cc1-c1cc(N2CCOCC2)c2nc(C(=O)N3CCC(N4CCOCC4)CC3)n(C)c2n1
• InChI: InChI=1S/C26H36N8O3/c1-18-20(17-30(2)29-18)21-16-22(33-10-14-37-15-11-33)23-24(27-21)31(3)25(28-23)26(35)34-6-4-19(5-7-34)32-8-12-36-13-9-32/h16-17,19H,4-15H2,1-3H3
• InChIKey: OTTVQGSTONMAHE-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 93.78 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

The IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 134324465) is [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

What is the SMILES notation for [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

The canonical SMILES for [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is Cc1nn(C)cc1-c1cc(N2CCOCC2)c2nc(C(=O)N3CCC(N4CCOCC4)CC3)n(C)c2n1.

What is the InChIKey of [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

The InChIKey is OTTVQGSTONMAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O3/c1-18-20(17-30(2)29-18)21-16-22(33-10-14-37-15-11-33)23-24(27-21)31(3)25(28-23)26(35)34-6-4-19(5-7-34)32-8-12-36-13-9-32/h16-17,19H,4-15H2,1-3H3.

What are the key properties of [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

[5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 508.63 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-dimethylpyrazol-4-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 134324465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).