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

C24H32FN7O3 — CID 134324472

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

[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (PubChem CID 134324472) has the molecular formula C24H32FN7O3 and a molecular weight of 485.56 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-(2-hydroxypropan-2-yl)piperidin-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-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
• PubChem CID: 134324472
• Molecular Formula: C24H32FN7O3
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.26
• IUPAC Name: [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1nn(C)cc1-c1nc2nc(C(=O)N3CCC(C(C)(C)O)CC3)[nH]c2c(N2CCOCC2)c1F
• InChI: InChI=1S/C24H32FN7O3/c1-14-16(13-30(4)29-14)18-17(25)20(31-9-11-35-12-10-31)19-21(26-18)28-22(27-19)23(33)32-7-5-15(6-8-32)24(2,3)34/h13,15,34H,5-12H2,1-4H3,(H,26,27,28)
• InChIKey: NTDQVVXJVPSNJC-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 112.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(2-hydroxypropan-2-yl)piperidin-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-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (CID 134324472) is [5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(2-hydroxypropan-2-yl)piperidin-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-(2-hydroxypropan-2-yl)piperidin-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-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is Cc1nn(C)cc1-c1nc2nc(C(=O)N3CCC(C(C)(C)O)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-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?

The InChIKey is NTDQVVXJVPSNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7O3/c1-14-16(13-30(4)29-14)18-17(25)20(31-9-11-35-12-10-31)19-21(26-18)28-22(27-19)23(33)32-7-5-15(6-8-32)24(2,3)34/h13,15,34H,5-12H2,1-4H3,(H,26,27,28).

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-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?

[5-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone has a molecular weight of 485.56 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 134324472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).