4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide

C31H37FN6O2 — CID 158765415

About 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide

4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide (PubChem CID 158765415) has the molecular formula C31H37FN6O2 and a molecular weight of 544.68 g/mol. Its IUPAC name is 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide
• PubChem CID: 158765415
• Molecular Formula: C31H37FN6O2
• Molecular Weight: 544.68 g/mol
• Exact Mass: 544.30
• IUPAC Name: 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide
• SMILES: Cn1nccc1-c1ccn2c(C(=O)Cc3cc(C(=O)NCCN4C(C)(C)CCCC4(C)C)ccc3F)cnc2c1
• InChI: InChI=1S/C31H37FN6O2/c1-30(2)11-6-12-31(3,4)38(30)16-14-33-29(40)22-7-8-24(32)23(17-22)18-27(39)26-20-34-28-19-21(10-15-37(26)28)25-9-13-35-36(25)5/h7-10,13,15,17,19-20H,6,11-12,14,16,18H2,1-5H3,(H,33,40)
• InChIKey: IPESQODURCJANS-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 84.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.68
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide?

The IUPAC name of 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide (CID 158765415) is 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide.

What is the SMILES notation for 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide?

The canonical SMILES for 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide is Cn1nccc1-c1ccn2c(C(=O)Cc3cc(C(=O)NCCN4C(C)(C)CCCC4(C)C)ccc3F)cnc2c1.

What is the InChIKey of 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide?

The InChIKey is IPESQODURCJANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN6O2/c1-30(2)11-6-12-31(3,4)38(30)16-14-33-29(40)22-7-8-24(32)23(17-22)18-27(39)26-20-34-28-19-21(10-15-37(26)28)25-9-13-35-36(25)5/h7-10,13,15,17,19-20H,6,11-12,14,16,18H2,1-5H3,(H,33,40).

What are the key properties of 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide?

4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 544.68 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 158765415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).