4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine

C28H25FN6 — CID 142199237

About 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine (PubChem CID 142199237) has the molecular formula C28H25FN6 and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine
• PubChem CID: 142199237
• Molecular Formula: C28H25FN6
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.21
• IUPAC Name: 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine
• SMILES: C[C@H](Nc1nc#cc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1)c1ccccc1
• InChI: InChI=1S/C28H25FN6/c1-19(21-7-5-4-6-8-21)31-28-30-15-13-24(32-28)27-26(22-9-11-23(29)12-10-22)33-25-17-20(18-34(2)3)14-16-35(25)27/h4-12,14,16-17,19H,18H2,1-3H3,(H,30,31,32)/t19-/m0/s1
• InChIKey: DXUJHWCXMCEYJG-IBGZPJMESA-N
• XLogP: 5.43
• TPSA: 58.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine?

The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine (CID 142199237) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine.

What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine?

The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine is C[C@H](Nc1nc#cc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1)c1ccccc1.

What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine?

The InChIKey is DXUJHWCXMCEYJG-IBGZPJMESA-N. The full InChI is InChI=1S/C28H25FN6/c1-19(21-7-5-4-6-8-21)31-28-30-15-13-24(32-28)27-26(22-9-11-23(29)12-10-22)33-25-17-20(18-34(2)3)14-16-35(25)27/h4-12,14,16-17,19H,18H2,1-3H3,(H,30,31,32)/t19-/m0/s1.

What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine?

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine has a molecular weight of 464.55 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]-5,6-didehydropyrimidin-2-amine is sourced from PubChem (CID 142199237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).