3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide

C22H24FN7O2 — CID 155307248

About 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide

3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide (PubChem CID 155307248) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide
• PubChem CID: 155307248
• Molecular Formula: C22H24FN7O2
• Molecular Weight: 437.48 g/mol
• Exact Mass: 437.20
• IUPAC Name: 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4)n(N)c3C(N)=O)cc2)ncc1F
• InChI: InChI=1S/C22H24FN7O2/c1-12-10-17(27-11-15(12)23)28-22(32)14-7-5-13(6-8-14)18-19(20(24)31)30(25)21(29-18)16-4-2-3-9-26-16/h5-8,10-11,16,26H,2-4,9,25H2,1H3,(H2,24,31)(H,27,28,32)/t16-/m0/s1
• InChIKey: ORRXETPOYWOWLW-INIZCTEOSA-N
• XLogP: 2.27
• TPSA: 140.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.48
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide?

The IUPAC name of 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide (CID 155307248) is 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide.

What is the SMILES notation for 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide?

The canonical SMILES for 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide is Cc1cc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4)n(N)c3C(N)=O)cc2)ncc1F.

What is the InChIKey of 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide?

The InChIKey is ORRXETPOYWOWLW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-12-10-17(27-11-15(12)23)28-22(32)14-7-5-13(6-8-14)18-19(20(24)31)30(25)21(29-18)16-4-2-3-9-26-16/h5-8,10-11,16,26H,2-4,9,25H2,1H3,(H2,24,31)(H,27,28,32)/t16-/m0/s1.

What are the key properties of 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide?

3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 155307248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).