N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide

C28H28FN5O2 — CID 55780936

About N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide

N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide (PubChem CID 55780936) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide
• PubChem CID: 55780936
• Molecular Formula: C28H28FN5O2
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.22
• IUPAC Name: N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CC1
• InChI: InChI=1S/C28H28FN5O2/c1-19(35)30-16-20-10-12-33(13-11-20)28(36)24-15-26(22-7-3-2-4-8-22)32-27-25(24)17-31-34(27)18-21-6-5-9-23(29)14-21/h2-9,14-15,17,20H,10-13,16,18H2,1H3,(H,30,35)
• InChIKey: BUWLFZIVVIOFRE-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide?

The IUPAC name of N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide (CID 55780936) is N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide.

What is the SMILES notation for N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide?

The canonical SMILES for N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CC1.

What is the InChIKey of N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide?

The InChIKey is BUWLFZIVVIOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-19(35)30-16-20-10-12-33(13-11-20)28(36)24-15-26(22-7-3-2-4-8-22)32-27-25(24)17-31-34(27)18-21-6-5-9-23(29)14-21/h2-9,14-15,17,20H,10-13,16,18H2,1H3,(H,30,35).

What are the key properties of N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide?

N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 485.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 55780936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).