5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide

C41H48FN11O4 — CID 177209224

About 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide

5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide (PubChem CID 177209224) has the molecular formula C41H48FN11O4 and a molecular weight of 777.91 g/mol. Its IUPAC name is 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide
• PubChem CID: 177209224
• Molecular Formula: C41H48FN11O4
• Molecular Weight: 777.91 g/mol
• Exact Mass: 777.39
• IUPAC Name: 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide
• SMILES: Nc1cnc(C(=O)Nc2cc3cn(C4CCN(CC5CCN(c6cc(F)c7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7)CC5)CC4)nc3cc2N2CCCCC2)cn1
• InChI: InChI=1S/C41H48FN11O4/c42-31-18-28(17-29-30(31)24-52(41(29)57)35-4-5-38(54)47-40(35)56)50-14-6-25(7-15-50)22-49-12-8-27(9-13-49)53-23-26-16-33(46-39(55)34-20-45-37(43)21-44-34)36(19-32(26)48-53)51-10-2-1-3-11-51/h16-21,23,25,27,35H,1-15,22,24H2,(H2,43,45)(H,46,55)(H,47,54,56)
• InChIKey: CVYKBVKBUNKLDM-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 174.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.91
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide (CID 177209224) is 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide?

The canonical SMILES for 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide is Nc1cnc(C(=O)Nc2cc3cn(C4CCN(CC5CCN(c6cc(F)c7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7)CC5)CC4)nc3cc2N2CCCCC2)cn1.

What is the InChIKey of 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide?

The InChIKey is CVYKBVKBUNKLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48FN11O4/c42-31-18-28(17-29-30(31)24-52(41(29)57)35-4-5-38(54)47-40(35)56)50-14-6-25(7-15-50)22-49-12-8-27(9-13-49)53-23-26-16-33(46-39(55)34-20-45-37(43)21-44-34)36(19-32(26)48-53)51-10-2-1-3-11-51/h16-21,23,25,27,35H,1-15,22,24H2,(H2,43,45)(H,46,55)(H,47,54,56).

What are the key properties of 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide?

5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide has a molecular weight of 777.91 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 177209224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).