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

C26H36N8O3 — CID 134324516

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

[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone (PubChem CID 134324516) has the molecular formula C26H36N8O3 and a molecular weight of 508.63 g/mol. Its IUPAC name is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone
• PubChem CID: 134324516
• Molecular Formula: C26H36N8O3
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.29
• IUPAC Name: [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone
• SMILES: C[C@@H]1CN(C2CCN(C(=O)c3nc4nc(-c5cnn(C)c5)cc(N5CCOCC5)c4[nH]3)CC2)C[C@H](C)O1
• InChI: InChI=1S/C26H36N8O3/c1-17-14-34(15-18(2)37-17)20-4-6-33(7-5-20)26(35)25-29-23-22(32-8-10-36-11-9-32)12-21(28-24(23)30-25)19-13-27-31(3)16-19/h12-13,16-18,20H,4-11,14-15H2,1-3H3,(H,28,29,30)/t17-,18+
• InChIKey: FZFSEIUPNKILEL-HDICACEKSA-N
• XLogP: 1.91
• TPSA: 104.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone (CID 134324516) is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone.

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

The canonical SMILES for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone is C[C@@H]1CN(C2CCN(C(=O)c3nc4nc(-c5cnn(C)c5)cc(N5CCOCC5)c4[nH]3)CC2)C[C@H](C)O1.

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

The InChIKey is FZFSEIUPNKILEL-HDICACEKSA-N. The full InChI is InChI=1S/C26H36N8O3/c1-17-14-34(15-18(2)37-17)20-4-6-33(7-5-20)26(35)25-29-23-22(32-8-10-36-11-9-32)12-21(28-24(23)30-25)19-13-27-31(3)16-19/h12-13,16-18,20H,4-11,14-15H2,1-3H3,(H,28,29,30)/t17-,18+.

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

[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone has a molecular weight of 508.63 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]methanone is sourced from PubChem (CID 134324516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).