N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide

C45H48ClF2N9O4S — CID 178178691

About N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide

N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide (PubChem CID 178178691) has the molecular formula C45H48ClF2N9O4S and a molecular weight of 884.45 g/mol. Its IUPAC name is N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide.

Molecular Properties

• Compound Name: N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide
• PubChem CID: 178178691
• Molecular Formula: C45H48ClF2N9O4S
• Molecular Weight: 884.45 g/mol
• Exact Mass: 883.32
• IUPAC Name: N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide
• SMILES: O=C1CC[C@H](c2ccc(N3CCC(CN4CCN(c5ccc(-n6cc(-c7cc(Cl)cc(NS(=O)(=O)C8CCCC8)c7F)c(-c7ccncc7)n6)cc5F)CC4)CC3)nc2)C(=O)N1
• InChI: InChI=1S/C45H48ClF2N9O4S/c46-32-23-36(43(48)39(24-32)53-62(60,61)34-3-1-2-4-34)37-28-57(52-44(37)30-11-15-49-16-12-30)33-6-8-40(38(47)25-33)55-21-19-54(20-22-55)27-29-13-17-56(18-14-29)41-9-5-31(26-50-41)35-7-10-42(58)51-45(35)59/h5-6,8-9,11-12,15-16,23-26,28-29,34-35,53H,1-4,7,10,13-14,17-22,27H2,(H,51,58,59)/t35-/m1/s1
• InChIKey: PRIILDZIHWCGAR-PGUFJCEWSA-N
• XLogP: 7.17
• TPSA: 145.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	884.45
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide (CID 178178691) is N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide.

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

The canonical SMILES for N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide is O=C1CC[C@H](c2ccc(N3CCC(CN4CCN(c5ccc(-n6cc(-c7cc(Cl)cc(NS(=O)(=O)C8CCCC8)c7F)c(-c7ccncc7)n6)cc5F)CC4)CC3)nc2)C(=O)N1.

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

The InChIKey is PRIILDZIHWCGAR-PGUFJCEWSA-N. The full InChI is InChI=1S/C45H48ClF2N9O4S/c46-32-23-36(43(48)39(24-32)53-62(60,61)34-3-1-2-4-34)37-28-57(52-44(37)30-11-15-49-16-12-30)33-6-8-40(38(47)25-33)55-21-19-54(20-22-55)27-29-13-17-56(18-14-29)41-9-5-31(26-50-41)35-7-10-42(58)51-45(35)59/h5-6,8-9,11-12,15-16,23-26,28-29,34-35,53H,1-4,7,10,13-14,17-22,27H2,(H,51,58,59)/t35-/m1/s1.

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

N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide has a molecular weight of 884.45 g/mol, XLogP of 7.17, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-3-[1-[4-[4-[[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-3-pyridin-4-ylpyrazol-4-yl]-2-fluorophenyl]cyclopentanesulfonamide is sourced from PubChem (CID 178178691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).