6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide

C46H54N12O9 — CID 138696583

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 138696583) has the molecular formula C46H54N12O9 and a molecular weight of 919.01 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 138696583
• Molecular Formula: C46H54N12O9
• Molecular Weight: 919.01 g/mol
• Exact Mass: 918.41
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: N#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(C(=O)NC3CCC(C(=O)NCCOCCNCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cn2)c1
• InChI: InChI=1S/C46H54N12O9/c47-24-28-22-30-26-53-58(41(30)52-25-28)38-23-36(54-31-8-9-31)34(27-51-38)43(61)55-32-6-4-29(5-7-32)42(60)50-15-19-65-16-12-48-13-17-66-20-21-67-18-14-49-35-3-1-2-33-40(35)46(64)57(45(33)63)37-10-11-39(59)56-44(37)62/h1-3,22-23,25-27,29,31-32,37,48-49H,4-21H2,(H,50,60)(H,51,54)(H,55,61)(H,56,59,62)
• InChIKey: WCZXHNXXKHXCFK-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 272.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.01
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

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 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide (CID 138696583) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide is N#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(C(=O)NC3CCC(C(=O)NCCOCCNCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cn2)c1.

What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is WCZXHNXXKHXCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N12O9/c47-24-28-22-30-26-53-58(41(30)52-25-28)38-23-36(54-31-8-9-31)34(27-51-38)43(61)55-32-6-4-29(5-7-32)42(60)50-15-19-65-16-12-48-13-17-66-20-21-67-18-14-49-35-3-1-2-33-40(35)46(64)57(45(33)63)37-10-11-39(59)56-44(37)62/h1-3,22-23,25-27,29,31-32,37,48-49H,4-21H2,(H,50,60)(H,51,54)(H,55,61)(H,56,59,62).

What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide?

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 919.01 g/mol, XLogP of 1.82, 23 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 138696583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).