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

C28H39FN8O3 — CID 134324458

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

[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone (PubChem CID 134324458) has the molecular formula C28H39FN8O3 and a molecular weight of 554.67 g/mol. Its IUPAC name is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone
• PubChem CID: 134324458
• Molecular Formula: C28H39FN8O3
• Molecular Weight: 554.67 g/mol
• Exact Mass: 554.31
• IUPAC Name: [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone
• SMILES: Cc1nn(C)cc1-c1nc2c(nc(C(=O)N3CCC(N4C[C@@H](C)O[C@@H](C)C4)CC3)n2C)c(N2CCOCC2)c1F
• InChI: InChI=1S/C28H39FN8O3/c1-17-14-37(15-18(2)40-17)20-6-8-36(9-7-20)28(38)27-31-24-25(35-10-12-39-13-11-35)22(29)23(30-26(24)34(27)5)21-16-33(4)32-19(21)3/h16-18,20H,6-15H2,1-5H3/t17-,18+
• InChIKey: BYIDUFBFOQYJSQ-HDICACEKSA-N
• XLogP: 2.37
• TPSA: 93.78 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.67
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone (CID 134324458) is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[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-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone?

The canonical SMILES for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone is Cc1nn(C)cc1-c1nc2c(nc(C(=O)N3CCC(N4C[C@@H](C)O[C@@H](C)C4)CC3)n2C)c(N2CCOCC2)c1F.

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

The InChIKey is BYIDUFBFOQYJSQ-HDICACEKSA-N. The full InChI is InChI=1S/C28H39FN8O3/c1-17-14-37(15-18(2)40-17)20-6-8-36(9-7-20)28(38)27-31-24-25(35-10-12-39-13-11-35)22(29)23(30-26(24)34(27)5)21-16-33(4)32-19(21)3/h16-18,20H,6-15H2,1-5H3/t17-,18+.

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

[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone has a molecular weight of 554.67 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methanone is sourced from PubChem (CID 134324458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).