2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone

C23H22F2N4O — CID 158400189

About 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone

2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone (PubChem CID 158400189) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone
• PubChem CID: 158400189
• Molecular Formula: C23H22F2N4O
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.18
• IUPAC Name: 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone
• SMILES: Cc1ccc(CC2CN(C(=O)Cc3nc(-c4ccc(F)cc4F)ccc3N)C2)cn1
• InChI: InChI=1S/C23H22F2N4O/c1-14-2-3-15(11-27-14)8-16-12-29(13-16)23(30)10-22-20(26)6-7-21(28-22)18-5-4-17(24)9-19(18)25/h2-7,9,11,16H,8,10,12-13,26H2,1H3
• InChIKey: GXZWOCXJLFCTAR-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 72.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone?

The IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone (CID 158400189) is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone.

What is the SMILES notation for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone?

The canonical SMILES for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone is Cc1ccc(CC2CN(C(=O)Cc3nc(-c4ccc(F)cc4F)ccc3N)C2)cn1.

What is the InChIKey of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone?

The InChIKey is GXZWOCXJLFCTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-14-2-3-15(11-27-14)8-16-12-29(13-16)23(30)10-22-20(26)6-7-21(28-22)18-5-4-17(24)9-19(18)25/h2-7,9,11,16H,8,10,12-13,26H2,1H3.

What are the key properties of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone?

2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone has a molecular weight of 408.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 158400189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).