5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

C28H31F2N7O — CID 118164385

About 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 118164385) has the molecular formula C28H31F2N7O and a molecular weight of 519.60 g/mol. Its IUPAC name is 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
• PubChem CID: 118164385
• Molecular Formula: C28H31F2N7O
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.26
• IUPAC Name: 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
• SMILES: Fc1ccc2ncc(-c3nc(N[C@@H]4CCCNC4)c(F)c(N4CCC(OCc5ccccc5)CC4)n3)n2c1
• InChI: InChI=1S/C28H31F2N7O/c29-20-8-9-24-32-16-23(37(24)17-20)26-34-27(33-21-7-4-12-31-15-21)25(30)28(35-26)36-13-10-22(11-14-36)38-18-19-5-2-1-3-6-19/h1-3,5-6,8-9,16-17,21-22,31H,4,7,10-15,18H2,(H,33,34,35)/t21-/m1/s1
• InChIKey: NTMYTOVBVVKXDH-OAQYLSRUSA-N
• XLogP: 4.42
• TPSA: 79.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?

The IUPAC name of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 118164385) is 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

What is the SMILES notation for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?

The canonical SMILES for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is Fc1ccc2ncc(-c3nc(N[C@@H]4CCCNC4)c(F)c(N4CCC(OCc5ccccc5)CC4)n3)n2c1.

What is the InChIKey of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?

The InChIKey is NTMYTOVBVVKXDH-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H31F2N7O/c29-20-8-9-24-32-16-23(37(24)17-20)26-34-27(33-21-7-4-12-31-15-21)25(30)28(35-26)36-13-10-22(11-14-36)38-18-19-5-2-1-3-6-19/h1-3,5-6,8-9,16-17,21-22,31H,4,7,10-15,18H2,(H,33,34,35)/t21-/m1/s1.

What are the key properties of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?

5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 519.60 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-phenylmethoxypiperidin-1-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 118164385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).