1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C23H24F2N6O — CID 147641509

About 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 147641509) has the molecular formula C23H24F2N6O and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
• PubChem CID: 147641509
• Molecular Formula: C23H24F2N6O
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.20
• IUPAC Name: 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
• SMILES: Cc1ccnc(-c2nc(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)c(N)cc2F)c1F
• InChI: InChI=1S/C23H24F2N6O/c1-13-4-7-29-23(20(13)25)21-16(24)10-17(27)22(30-21)19(32)9-14-11-28-6-5-18(14)31-8-2-3-15(26)12-31/h4-7,10-11,15H,2-3,8-9,12,26-27H2,1H3/t15-/m0/s1
• InChIKey: GHRWMWZNOLPZJN-HNNXBMFYSA-N
• XLogP: 3.06
• TPSA: 111.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?

The IUPAC name of 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 147641509) is 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

What is the SMILES notation for 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?

The canonical SMILES for 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is Cc1ccnc(-c2nc(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)c(N)cc2F)c1F.

What is the InChIKey of 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?

The InChIKey is GHRWMWZNOLPZJN-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24F2N6O/c1-13-4-7-29-23(20(13)25)21-16(24)10-17(27)22(30-21)19(32)9-14-11-28-6-5-18(14)31-8-2-3-15(26)12-31/h4-7,10-11,15H,2-3,8-9,12,26-27H2,1H3/t15-/m0/s1.

What are the key properties of 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?

1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 438.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-5-fluoro-6-(3-fluoro-4-methyl-2-pyridinyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 147641509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).