[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C27H26FN7O2 — CID 149299265

About [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 149299265) has the molecular formula C27H26FN7O2 and a molecular weight of 499.55 g/mol. Its IUPAC name is [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

• Compound Name: [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
• PubChem CID: 149299265
• Molecular Formula: C27H26FN7O2
• Molecular Weight: 499.55 g/mol
• Exact Mass: 499.21
• IUPAC Name: [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
• SMILES: CC1CN(C(=O)c2cn3c(-c4ccc5ncn(C)c5c4)c(-c4ccc(F)cc4)nc(N)c3n2)CC(C)O1
• InChI: InChI=1S/C27H26FN7O2/c1-15-11-34(12-16(2)37-15)27(36)21-13-35-24(18-6-9-20-22(10-18)33(3)14-30-20)23(32-25(29)26(35)31-21)17-4-7-19(28)8-5-17/h4-10,13-16H,11-12H2,1-3H3,(H2,29,32)
• InChIKey: XWKOBHJHNPRQHG-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 103.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.55
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?

The IUPAC name of [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 149299265) is [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

What is the SMILES notation for [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?

The canonical SMILES for [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cn3c(-c4ccc5ncn(C)c5c4)c(-c4ccc(F)cc4)nc(N)c3n2)CC(C)O1.

What is the InChIKey of [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?

The InChIKey is XWKOBHJHNPRQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O2/c1-15-11-34(12-16(2)37-15)27(36)21-13-35-24(18-6-9-20-22(10-18)33(3)14-30-20)23(32-25(29)26(35)31-21)17-4-7-19(28)8-5-17/h4-10,13-16H,11-12H2,1-3H3,(H2,29,32).

What are the key properties of [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?

[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 499.55 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 149299265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).