N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine

C23H24FN9 — CID 155282011

About N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine

N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine (PubChem CID 155282011) has the molecular formula C23H24FN9 and a molecular weight of 445.51 g/mol. Its IUPAC name is N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine
• PubChem CID: 155282011
• Molecular Formula: C23H24FN9
• Molecular Weight: 445.51 g/mol
• Exact Mass: 445.21
• IUPAC Name: N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine
• SMILES: CC(C)n1cnc2c(F)nc(-c3ccnc(Nc4ccc(N5CC6CC5CN6)cn4)n3)cc21
• InChI: InChI=1S/C23H24FN9/c1-13(2)33-12-28-21-19(33)8-18(29-22(21)24)17-5-6-25-23(30-17)31-20-4-3-15(9-27-20)32-11-14-7-16(32)10-26-14/h3-6,8-9,12-14,16,26H,7,10-11H2,1-2H3,(H,25,27,30,31)
• InChIKey: LPAJPNWNHFJXAI-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.51
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine?

The IUPAC name of N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine (CID 155282011) is N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine?

The canonical SMILES for N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine is CC(C)n1cnc2c(F)nc(-c3ccnc(Nc4ccc(N5CC6CC5CN6)cn4)n3)cc21.

What is the InChIKey of N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine?

The InChIKey is LPAJPNWNHFJXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN9/c1-13(2)33-12-28-21-19(33)8-18(29-22(21)24)17-5-6-25-23(30-17)31-20-4-3-15(9-27-20)32-11-14-7-16(32)10-26-14/h3-6,8-9,12-14,16,26H,7,10-11H2,1-2H3,(H,25,27,30,31).

What are the key properties of N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine?

N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine has a molecular weight of 445.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 155282011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).