6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide

C34H33FN10O6 — CID 170093335

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide (PubChem CID 170093335) has the molecular formula C34H33FN10O6 and a molecular weight of 696.70 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide
• PubChem CID: 170093335
• Molecular Formula: C34H33FN10O6
• Molecular Weight: 696.70 g/mol
• Exact Mass: 696.26
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide
• SMILES: N#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(C(=O)NCC(F)COCCNc3cccc4c3C(O)N(C3CCC(=O)NC3=O)C4=O)cn2)c1
• InChI: InChI=1S/C34H33FN10O6/c35-20(17-51-9-8-37-24-3-1-2-22-29(24)34(50)44(33(22)49)26-6-7-28(46)43-32(26)48)15-40-31(47)23-16-38-27(11-25(23)42-21-4-5-21)45-30-19(14-41-45)10-18(12-36)13-39-30/h1-3,10-11,13-14,16,20-21,26,34,37,50H,4-9,15,17H2,(H,38,42)(H,40,47)(H,43,46,48)
• InChIKey: CLEBZUWBIAVMRH-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 216.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.70
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide?

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide (CID 170093335) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide is N#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(C(=O)NCC(F)COCCNc3cccc4c3C(O)N(C3CCC(=O)NC3=O)C4=O)cn2)c1.

What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide?

The InChIKey is CLEBZUWBIAVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN10O6/c35-20(17-51-9-8-37-24-3-1-2-22-29(24)34(50)44(33(22)49)26-6-7-28(46)43-32(26)48)15-40-31(47)23-16-38-27(11-25(23)42-21-4-5-21)45-30-19(14-41-45)10-18(12-36)13-39-30/h1-3,10-11,13-14,16,20-21,26,34,37,50H,4-9,15,17H2,(H,38,42)(H,40,47)(H,43,46,48).

What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide?

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide has a molecular weight of 696.70 g/mol, XLogP of 1.71, 13 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide is sourced from PubChem (CID 170093335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).