1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide

C53H63FN10O4 — CID 162725496

About 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide

1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 162725496) has the molecular formula C53H63FN10O4 and a molecular weight of 923.15 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
• PubChem CID: 162725496
• Molecular Formula: C53H63FN10O4
• Molecular Weight: 923.15 g/mol
• Exact Mass: 922.50
• IUPAC Name: 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
• SMILES: CCC1(C(=O)NC(C)C)CCN(c2ccc(-c3cc(-c4ccc(N5CCC(O)(CCN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C53H63FN10O4/c1-4-52(51(67)58-35(2)3)17-25-63(26-18-52)47-13-7-38(32-56-47)44-29-39(34-64-49(44)40(31-55)33-57-64)36-5-9-42(10-6-36)62-27-20-53(68,21-28-62)19-24-61-22-15-37(16-23-61)43-11-8-41(30-45(43)54)59-46-12-14-48(65)60-50(46)66/h5-11,13,29-30,32-35,37,46,59,68H,4,12,14-28H2,1-3H3,(H,58,67)(H,60,65,66)
• InChIKey: NOJZUAQEGVXGMK-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 171.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.15
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?

The IUPAC name of 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide (CID 162725496) is 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?

The canonical SMILES for 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide is CCC1(C(=O)NC(C)C)CCN(c2ccc(-c3cc(-c4ccc(N5CCC(O)(CCN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?

The InChIKey is NOJZUAQEGVXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H63FN10O4/c1-4-52(51(67)58-35(2)3)17-25-63(26-18-52)47-13-7-38(32-56-47)44-29-39(34-64-49(44)40(31-55)33-57-64)36-5-9-42(10-6-36)62-27-20-53(68,21-28-62)19-24-61-22-15-37(16-23-61)43-11-8-41(30-45(43)54)59-46-12-14-48(65)60-50(46)66/h5-11,13,29-30,32-35,37,46,59,68H,4,12,14-28H2,1-3H3,(H,58,67)(H,60,65,66).

What are the key properties of 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?

1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 923.15 g/mol, XLogP of 7.41, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]-4-hydroxypiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 162725496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).