3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

C25H23FN7O2P — CID 155678679

About 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678679) has the molecular formula C25H23FN7O2P and a molecular weight of 503.48 g/mol. Its IUPAC name is 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
• PubChem CID: 155678679
• Molecular Formula: C25H23FN7O2P
• Molecular Weight: 503.48 g/mol
• Exact Mass: 503.16
• IUPAC Name: 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
• SMILES: CP(C)(=O)c1cccc(F)c1CNC(=O)c1nc(-c2ccc3nccn3c2)c(-c2ccc[nH]2)nc1N
• InChI: InChI=1S/C25H23FN7O2P/c1-36(2,35)19-7-3-5-17(26)16(19)13-30-25(34)23-24(27)32-22(18-6-4-10-28-18)21(31-23)15-8-9-20-29-11-12-33(20)14-15/h3-12,14,28H,13H2,1-2H3,(H2,27,32)(H,30,34)
• InChIKey: YZCIUHFCEAECTE-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 131.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678679) is 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is CP(C)(=O)c1cccc(F)c1CNC(=O)c1nc(-c2ccc3nccn3c2)c(-c2ccc[nH]2)nc1N.

What is the InChIKey of 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

The InChIKey is YZCIUHFCEAECTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN7O2P/c1-36(2,35)19-7-3-5-17(26)16(19)13-30-25(34)23-24(27)32-22(18-6-4-10-28-18)21(31-23)15-8-9-20-29-11-12-33(20)14-15/h3-12,14,28H,13H2,1-2H3,(H2,27,32)(H,30,34).

What are the key properties of 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).