[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C29H29FN8O2 — CID 154943886

About [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 154943886) has the molecular formula C29H29FN8O2 and a molecular weight of 540.60 g/mol. Its IUPAC name is [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
• PubChem CID: 154943886
• Molecular Formula: C29H29FN8O2
• Molecular Weight: 540.60 g/mol
• Exact Mass: 540.24
• IUPAC Name: [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
• SMILES: COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(c6nncn6C)CC5)c(C)c4)nccn23)cc1F
• InChI: InChI=1S/C29H29FN8O2/c1-18-14-21(5-6-22(18)29(39)37-11-8-19(9-12-37)27-35-33-17-36(27)2)34-26-28-32-16-24(38(28)13-10-31-26)20-4-7-25(40-3)23(30)15-20/h4-7,10,13-17,19H,8-9,11-12H2,1-3H3,(H,31,34)
• InChIKey: GDHZGXYAUTVYGV-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 102.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.60
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?

The IUPAC name of [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 154943886) is [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?

The canonical SMILES for [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(c6nncn6C)CC5)c(C)c4)nccn23)cc1F.

What is the InChIKey of [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?

The InChIKey is GDHZGXYAUTVYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN8O2/c1-18-14-21(5-6-22(18)29(39)37-11-8-19(9-12-37)27-35-33-17-36(27)2)34-26-28-32-16-24(38(28)13-10-31-26)20-4-7-25(40-3)23(30)15-20/h4-7,10,13-17,19H,8-9,11-12H2,1-3H3,(H,31,34).

What are the key properties of [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?

[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 540.60 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154943886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).