N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide

C44H49FN8O4S — CID 178178871

About N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide

N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide (PubChem CID 178178871) has the molecular formula C44H49FN8O4S and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
• PubChem CID: 178178871
• Molecular Formula: C44H49FN8O4S
• Molecular Weight: 804.99 g/mol
• Exact Mass: 804.36
• IUPAC Name: N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1cccc(-c2cn(-c3ccc(C4CCN(CC5CCN(c6ccc([C@H]7CCC(=O)NC7=O)cn6)CC5)CC4)cc3)nc2-c2ccncc2)c1F
• InChI: InChI=1S/C44H49FN8O4S/c1-2-26-58(56,57)50-39-5-3-4-37(42(39)45)38-29-53(49-43(38)33-14-20-46-21-15-33)35-9-6-31(7-10-35)32-18-22-51(23-19-32)28-30-16-24-52(25-17-30)40-12-8-34(27-47-40)36-11-13-41(54)48-44(36)55/h3-10,12,14-15,20-21,27,29-30,32,36,50H,2,11,13,16-19,22-26,28H2,1H3,(H,48,54,55)/t36-/m1/s1
• InChIKey: ARDORPMDAJYYOA-PSXMRANNSA-N
• XLogP: 6.90
• TPSA: 142.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.99
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide?

The IUPAC name of N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide (CID 178178871) is N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2cn(-c3ccc(C4CCN(CC5CCN(c6ccc([C@H]7CCC(=O)NC7=O)cn6)CC5)CC4)cc3)nc2-c2ccncc2)c1F.

What is the InChIKey of N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide?

The InChIKey is ARDORPMDAJYYOA-PSXMRANNSA-N. The full InChI is InChI=1S/C44H49FN8O4S/c1-2-26-58(56,57)50-39-5-3-4-37(42(39)45)38-29-53(49-43(38)33-14-20-46-21-15-33)35-9-6-31(7-10-35)32-18-22-51(23-19-32)28-30-16-24-52(25-17-30)40-12-8-34(27-47-40)36-11-13-41(54)48-44(36)55/h3-10,12,14-15,20-21,27,29-30,32,36,50H,2,11,13,16-19,22-26,28H2,1H3,(H,48,54,55)/t36-/m1/s1.

What are the key properties of N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide?

N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide has a molecular weight of 804.99 g/mol, XLogP of 6.90, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[4-[1-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 178178871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).