N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide

C45H45F2N11O7 — CID 167435717

About N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide (PubChem CID 167435717) has the molecular formula C45H45F2N11O7 and a molecular weight of 889.92 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide
• PubChem CID: 167435717
• Molecular Formula: C45H45F2N11O7
• Molecular Weight: 889.92 g/mol
• Exact Mass: 889.35
• IUPAC Name: N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(NCCOCCC(=O)N4CCC(Nc5cccc(C(=O)Nc6cnn7ccc(N8CCC[C@@H]8c8cc(F)ccc8F)nc67)n5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C45H45F2N11O7/c46-26-6-9-32(47)31(23-26)35-4-2-17-56(35)38-14-20-57-41(53-38)34(25-49-57)52-42(61)33-3-1-5-37(51-33)50-27-12-18-55(19-13-27)40(60)15-21-65-22-16-48-28-7-8-29-30(24-28)45(64)58(44(29)63)36-10-11-39(59)54-43(36)62/h1,3,5-9,14,20,23-25,27,35-36,48H,2,4,10-13,15-19,21-22H2,(H,50,51)(H,52,61)(H,54,59,62)/t35-,36?/m1/s1
• InChIKey: IYTUOKCEDQPYDZ-RERZGLEZSA-N
• XLogP: 4.32
• TPSA: 212.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.92
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide?

The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide (CID 167435717) is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide.

What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide?

The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide is O=C1CCC(N2C(=O)c3ccc(NCCOCCC(=O)N4CCC(Nc5cccc(C(=O)Nc6cnn7ccc(N8CCC[C@@H]8c8cc(F)ccc8F)nc67)n5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide?

The InChIKey is IYTUOKCEDQPYDZ-RERZGLEZSA-N. The full InChI is InChI=1S/C45H45F2N11O7/c46-26-6-9-32(47)31(23-26)35-4-2-17-56(35)38-14-20-57-41(53-38)34(25-49-57)52-42(61)33-3-1-5-37(51-33)50-27-12-18-55(19-13-27)40(60)15-21-65-22-16-48-28-7-8-29-30(24-28)45(64)58(44(29)63)36-10-11-39(59)54-43(36)62/h1,3,5-9,14,20,23-25,27,35-36,48H,2,4,10-13,15-19,21-22H2,(H,50,51)(H,52,61)(H,54,59,62)/t35-,36?/m1/s1.

What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide?

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide has a molecular weight of 889.92 g/mol, XLogP of 4.32, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanoyl]piperidin-4-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167435717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).