[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone

C27H38N8O3 — CID 134324443

About [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone

[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone (PubChem CID 134324443) has the molecular formula C27H38N8O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone
• PubChem CID: 134324443
• Molecular Formula: C27H38N8O3
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.31
• IUPAC Name: [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone
• SMILES: C[C@@H]1CN(C2CCN(C(=O)c3nc4c(N5CCOCC5)cc(-c5cnn(C)c5)nc4n3C)CC2)C[C@H](C)O1
• InChI: InChI=1S/C27H38N8O3/c1-18-15-35(16-19(2)38-18)21-5-7-34(8-6-21)27(36)26-30-24-23(33-9-11-37-12-10-33)13-22(29-25(24)32(26)4)20-14-28-31(3)17-20/h13-14,17-19,21H,5-12,15-16H2,1-4H3/t18-,19+
• InChIKey: GZVNNHSCAYTKJA-KDURUIRLSA-N
• XLogP: 1.92
• TPSA: 93.78 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone?

The IUPAC name of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone (CID 134324443) is [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone.

What is the SMILES notation for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone?

The canonical SMILES for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone is C[C@@H]1CN(C2CCN(C(=O)c3nc4c(N5CCOCC5)cc(-c5cnn(C)c5)nc4n3C)CC2)C[C@H](C)O1.

What is the InChIKey of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone?

The InChIKey is GZVNNHSCAYTKJA-KDURUIRLSA-N. The full InChI is InChI=1S/C27H38N8O3/c1-18-15-35(16-19(2)38-18)21-5-7-34(8-6-21)27(36)26-30-24-23(33-9-11-37-12-10-33)13-22(29-25(24)32(26)4)20-14-28-31(3)17-20/h13-14,17-19,21H,5-12,15-16H2,1-4H3/t18-,19+.

What are the key properties of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone?

[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone has a molecular weight of 522.65 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[3-methyl-5-(1-methylpyrazol-4-yl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone is sourced from PubChem (CID 134324443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).