[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate

C47H49FN10O7 — CID 163221975

About [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate (PubChem CID 163221975) has the molecular formula C47H49FN10O7 and a molecular weight of 884.97 g/mol. Its IUPAC name is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate
• PubChem CID: 163221975
• Molecular Formula: C47H49FN10O7
• Molecular Weight: 884.97 g/mol
• Exact Mass: 884.38
• IUPAC Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate
• SMILES: Nc1ncc(-c2cnn(C3CCN(CCC4CCN(C(=O)c5cccc(C(=O)NC6CCC(=O)NC6=O)c5)CC4)CC3)c2)nc1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
• InChI: InChI=1S/C47H49FN10O7/c48-34-9-11-35(12-10-34)52-45(62)41(30-5-2-1-3-6-30)65-47(64)40-42(49)50-27-38(53-40)33-26-51-58(28-33)36-18-21-56(22-19-36)20-15-29-16-23-57(24-17-29)46(63)32-8-4-7-31(25-32)43(60)54-37-13-14-39(59)55-44(37)61/h1-12,25-29,36-37,41H,13-24H2,(H2,49,50)(H,52,62)(H,54,60)(H,55,59,61)/t37?,41-/m1/s1
• InChIKey: PQAYCTBKFOUAJE-LSBRRTLXSA-N
• XLogP: 4.71
• TPSA: 223.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.97
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate?

The IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate (CID 163221975) is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate.

What is the SMILES notation for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate?

The canonical SMILES for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate is Nc1ncc(-c2cnn(C3CCN(CCC4CCN(C(=O)c5cccc(C(=O)NC6CCC(=O)NC6=O)c5)CC4)CC3)c2)nc1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1.

What is the InChIKey of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate?

The InChIKey is PQAYCTBKFOUAJE-LSBRRTLXSA-N. The full InChI is InChI=1S/C47H49FN10O7/c48-34-9-11-35(12-10-34)52-45(62)41(30-5-2-1-3-6-30)65-47(64)40-42(49)50-27-38(53-40)33-26-51-58(28-33)36-18-21-56(22-19-36)20-15-29-16-23-57(24-17-29)46(63)32-8-4-7-31(25-32)43(60)54-37-13-14-39(59)55-44(37)61/h1-12,25-29,36-37,41H,13-24H2,(H2,49,50)(H,52,62)(H,54,60)(H,55,59,61)/t37?,41-/m1/s1.

What are the key properties of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate?

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate has a molecular weight of 884.97 g/mol, XLogP of 4.71, 13 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 163221975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).