4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine

C22H21FN6 — CID 58824293

About 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine

4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 58824293) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
• PubChem CID: 58824293
• Molecular Formula: C22H21FN6
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.18
• IUPAC Name: 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
• SMILES: CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CNC4CC4)ccn23)n1
• InChI: InChI=1S/C22H21FN6/c1-24-22-25-10-8-18(27-22)21-20(15-2-4-16(23)5-3-15)28-19-12-14(9-11-29(19)21)13-26-17-6-7-17/h2-5,8-12,17,26H,6-7,13H2,1H3,(H,24,25,27)
• InChIKey: GDQJINMZOFSNNO-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 67.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?

The IUPAC name of 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (CID 58824293) is 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.

What is the SMILES notation for 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?

The canonical SMILES for 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CNC4CC4)ccn23)n1.

What is the InChIKey of 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?

The InChIKey is GDQJINMZOFSNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-24-22-25-10-8-18(27-22)21-20(15-2-4-16(23)5-3-15)28-19-12-14(9-11-29(19)21)13-26-17-6-7-17/h2-5,8-12,17,26H,6-7,13H2,1H3,(H,24,25,27).

What are the key properties of 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?

4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 388.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 58824293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).