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

C35H33FN10O6 — CID 138727253

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]pyridine-3-carboxamide (PubChem CID 138727253) has the molecular formula C35H33FN10O6 and a molecular weight of 708.71 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)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]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)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]pyridine-3-carboxamide
• PubChem CID: 138727253
• Molecular Formula: C35H33FN10O6
• Molecular Weight: 708.71 g/mol
• Exact Mass: 708.26
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]pyridine-3-carboxamide
• SMILES: CC(OCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CC1
• InChI: InChI=1S/C35H33FN10O6/c1-18(52-10-9-38-25-4-2-3-22-30(25)35(51)45(34(22)50)27-7-8-29(47)44-33(27)49)24(36)17-41-32(48)23-16-39-28(12-26(23)43-21-5-6-21)46-31-20(15-42-46)11-19(13-37)14-40-31/h2-4,11-12,14-16,18,21,24,27,38H,5-10,17H2,1H3,(H,39,43)(H,41,48)(H,44,47,49)
• InChIKey: WATVDOMMDDKDPM-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 213.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.71
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	4
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)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]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)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]pyridine-3-carboxamide (CID 138727253) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]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)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]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)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]pyridine-3-carboxamide is CC(OCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CC1.

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)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]pyridine-3-carboxamide?

The InChIKey is WATVDOMMDDKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN10O6/c1-18(52-10-9-38-25-4-2-3-22-30(25)35(51)45(34(22)50)27-7-8-29(47)44-33(27)49)24(36)17-41-32(48)23-16-39-28(12-26(23)43-21-5-6-21)46-31-20(15-42-46)11-19(13-37)14-40-31/h2-4,11-12,14-16,18,21,24,27,38H,5-10,17H2,1H3,(H,39,43)(H,41,48)(H,44,47,49).

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)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]pyridine-3-carboxamide?

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]pyridine-3-carboxamide has a molecular weight of 708.71 g/mol, XLogP of 2.25, 13 rotatable bonds, 4 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)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-2-fluorobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 138727253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).