6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide

C37H39F2N9O8 — CID 138727955

About 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide

6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide (PubChem CID 138727955) has the molecular formula C37H39F2N9O8 and a molecular weight of 775.77 g/mol. Its IUPAC name is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide
• PubChem CID: 138727955
• Molecular Formula: C37H39F2N9O8
• Molecular Weight: 775.77 g/mol
• Exact Mass: 775.29
• IUPAC Name: 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide
• SMILES: N#Cc1cnc(Nc2cc(NC3CC3)c(C(=O)NCC(F)COCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)c(F)c1
• InChI: InChI=1S/C37H39F2N9O8/c38-22(18-44-34(50)25-19-42-30(15-28(25)45-23-4-5-23)46-33-26(39)14-21(16-40)17-43-33)20-56-13-12-55-11-10-54-9-8-41-27-3-1-2-24-32(27)37(53)48(36(24)52)29-6-7-31(49)47-35(29)51/h1-3,14-15,17,19,22-23,29,41H,4-13,18,20H2,(H,44,50)(H,47,49,51)(H2,42,43,45,46)
• InChIKey: JSVWYSHBQOYGPX-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 226.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.77
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	5
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 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide?

The IUPAC name of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide (CID 138727955) is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide is N#Cc1cnc(Nc2cc(NC3CC3)c(C(=O)NCC(F)COCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)c(F)c1.

What is the InChIKey of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide?

The InChIKey is JSVWYSHBQOYGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39F2N9O8/c38-22(18-44-34(50)25-19-42-30(15-28(25)45-23-4-5-23)46-33-26(39)14-21(16-40)17-43-33)20-56-13-12-55-11-10-54-9-8-41-27-3-1-2-24-32(27)37(53)48(36(24)52)29-6-7-31(49)47-35(29)51/h1-3,14-15,17,19,22-23,29,41H,4-13,18,20H2,(H,44,50)(H,47,49,51)(H2,42,43,45,46).

What are the key properties of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide?

6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide has a molecular weight of 775.77 g/mol, XLogP of 2.44, 20 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]pyridine-3-carboxamide is sourced from PubChem (CID 138727955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).