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

C24H28F2N6O — CID 164921803

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

(2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone (PubChem CID 164921803) has the molecular formula C24H28F2N6O and a molecular weight of 454.53 g/mol. Its IUPAC name is (2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
• PubChem CID: 164921803
• Molecular Formula: C24H28F2N6O
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.23
• IUPAC Name: (2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
• SMILES: Cc1cc(N)c(C(=O)N2CCC(c3c(F)cnc4nc(C5CCCNC5)[nH]c34)CC2)cc1F
• InChI: InChI=1S/C24H28F2N6O/c1-13-9-19(27)16(10-17(13)25)24(33)32-7-4-14(5-8-32)20-18(26)12-29-23-21(20)30-22(31-23)15-3-2-6-28-11-15/h9-10,12,14-15,28H,2-8,11,27H2,1H3,(H,29,30,31)
• InChIKey: FKRBUUQOSKPMTK-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 99.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone (CID 164921803) is (2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?

The canonical SMILES for (2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone is Cc1cc(N)c(C(=O)N2CCC(c3c(F)cnc4nc(C5CCCNC5)[nH]c34)CC2)cc1F.

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

The InChIKey is FKRBUUQOSKPMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O/c1-13-9-19(27)16(10-17(13)25)24(33)32-7-4-14(5-8-32)20-18(26)12-29-23-21(20)30-22(31-23)15-3-2-6-28-11-15/h9-10,12,14-15,28H,2-8,11,27H2,1H3,(H,29,30,31).

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

(2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone has a molecular weight of 454.53 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164921803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).