[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C25H33FN8O3 — CID 134324451

About [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 134324451) has the molecular formula C25H33FN8O3 and a molecular weight of 512.59 g/mol. Its IUPAC name is [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
• PubChem CID: 134324451
• Molecular Formula: C25H33FN8O3
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.27
• IUPAC Name: [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
• SMILES: Cc1nn(C)cc1-c1nc2nc(C(=O)N3CCC(N4CCOCC4)CC3)[nH]c2c(N2CCOCC2)c1F
• InChI: InChI=1S/C25H33FN8O3/c1-16-18(15-31(2)30-16)20-19(26)22(33-9-13-37-14-10-33)21-23(27-20)29-24(28-21)25(35)34-5-3-17(4-6-34)32-7-11-36-12-8-32/h15,17H,3-14H2,1-2H3,(H,27,28,29)
• InChIKey: SSUCQNGVMVQOHY-UHFFFAOYSA-N
• XLogP: 1.58
• 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	512.59
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

The IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 134324451) is [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[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)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

The canonical SMILES for [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is Cc1nn(C)cc1-c1nc2nc(C(=O)N3CCC(N4CCOCC4)CC3)[nH]c2c(N2CCOCC2)c1F.

What is the InChIKey of [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

The InChIKey is SSUCQNGVMVQOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN8O3/c1-16-18(15-31(2)30-16)20-19(26)22(33-9-13-37-14-10-33)21-23(27-20)29-24(28-21)25(35)34-5-3-17(4-6-34)32-7-11-36-12-8-32/h15,17H,3-14H2,1-2H3,(H,27,28,29).

What are the key properties of [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 512.59 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 134324451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).