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

C24H21FN7O3P — CID 146386494

IUPAC3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCP(C)(=O)c1cccc(F)c1CNC(=O)c1nc(-c2ccc3nccn3c2)c(-c2ncco2)nc1N
InChIInChI=1S/C24H21FN7O3P/c1-36(2,34)17-5-3-4-16(25)15(17)12-29-23(33)21-22(26)31-20(24-28-9-11-35-24)19(30-21)14-6-7-18-27-8-10-32(18)13-14/h3-11,13H,12H2,1-2H3,(H2,26,31)(H,29,33)
InChIKeyXYHMSQIYQHPLCB-UHFFFAOYSA-N
MW505.45 g/mol
LogP3.35
Rot. Bonds6

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

3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386494) has the molecular formula C24H21FN7O3P and a molecular weight of 505.45 g/mol. Its IUPAC name is 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386494
Molecular FormulaC24H21FN7O3P
Molecular Weight505.45 g/mol
Exact Mass505.14
IUPAC Name3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCP(C)(=O)c1cccc(F)c1CNC(=O)c1nc(-c2ccc3nccn3c2)c(-c2ncco2)nc1N
InChIInChI=1S/C24H21FN7O3P/c1-36(2,34)17-5-3-4-16(25)15(17)12-29-23(33)21-22(26)31-20(24-28-9-11-35-24)19(30-21)14-6-7-18-27-8-10-32(18)13-14/h3-11,13H,12H2,1-2H3,(H2,26,31)(H,29,33)
InChIKeyXYHMSQIYQHPLCB-UHFFFAOYSA-N
XLogP3.35
TPSA141.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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-(1,3-oxazol-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-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386494) is 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-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-(1,3-oxazol-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-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is CP(C)(=O)c1cccc(F)c1CNC(=O)c1nc(-c2ccc3nccn3c2)c(-c2ncco2)nc1N.
What is the InChIKey of 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is XYHMSQIYQHPLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN7O3P/c1-36(2,34)17-5-3-4-16(25)15(17)12-29-23(33)21-22(26)31-20(24-28-9-11-35-24)19(30-21)14-6-7-18-27-8-10-32(18)13-14/h3-11,13H,12H2,1-2H3,(H2,26,31)(H,29,33).
What are the key properties of 3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 505.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).