2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone

C23H21FN6O2 — CID 58449002

About 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone (PubChem CID 58449002) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone
• PubChem CID: 58449002
• Molecular Formula: C23H21FN6O2
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.17
• IUPAC Name: 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone
• SMILES: Cc1noc(C)c1-c1cnc(C(=O)Cc2ccc(F)c(CNc3cccnc3N)c2)cn1
• InChI: InChI=1S/C23H21FN6O2/c1-13-22(14(2)32-30-13)20-12-28-19(11-29-20)21(31)9-15-5-6-17(24)16(8-15)10-27-18-4-3-7-26-23(18)25/h3-8,11-12,27H,9-10H2,1-2H3,(H2,25,26)
• InChIKey: CTUZGNIFKWZDOJ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 119.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone?

The IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone (CID 58449002) is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone.

What is the SMILES notation for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone?

The canonical SMILES for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone is Cc1noc(C)c1-c1cnc(C(=O)Cc2ccc(F)c(CNc3cccnc3N)c2)cn1.

What is the InChIKey of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone?

The InChIKey is CTUZGNIFKWZDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-13-22(14(2)32-30-13)20-12-28-19(11-29-20)21(31)9-15-5-6-17(24)16(8-15)10-27-18-4-3-7-26-23(18)25/h3-8,11-12,27H,9-10H2,1-2H3,(H2,25,26).

What are the key properties of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone?

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone has a molecular weight of 432.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 58449002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).