4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide

C39H42FN9O7 — CID 138727107

About 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide

4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide (PubChem CID 138727107) has the molecular formula C39H42FN9O7 and a molecular weight of 767.82 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 138727107
• Molecular Formula: C39H42FN9O7
• Molecular Weight: 767.82 g/mol
• Exact Mass: 767.32
• IUPAC Name: 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)(OCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(F)CNC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
• InChI: InChI=1S/C39H42FN9O7/c1-39(2,56-17-16-55-15-14-42-27-5-3-4-24-34(27)38(54)49(37(24)53)29-9-11-33(50)48-36(29)52)30(40)21-44-35(51)25-20-43-32(18-28(25)45-23-7-8-23)47-31-10-6-22-19-41-13-12-26(22)46-31/h3-6,10,12-13,18-20,23,29-30,42H,7-9,11,14-17,21H2,1-2H3,(H,44,51)(H,48,50,52)(H2,43,45,46,47)
• InChIKey: KYINOHPSUUMSAJ-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 205.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.82
LogP ≤ 5	3.74
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 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide (CID 138727107) is 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide is CC(C)(OCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(F)CNC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1.

What is the InChIKey of 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?

The InChIKey is KYINOHPSUUMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42FN9O7/c1-39(2,56-17-16-55-15-14-42-27-5-3-4-24-34(27)38(54)49(37(24)53)29-9-11-33(50)48-36(29)52)30(40)21-44-35(51)25-20-43-32(18-28(25)45-23-7-8-23)47-31-10-6-22-19-41-13-12-26(22)46-31/h3-6,10,12-13,18-20,23,29-30,42H,7-9,11,14-17,21H2,1-2H3,(H,44,51)(H,48,50,52)(H2,43,45,46,47).

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

4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 767.82 g/mol, XLogP of 3.74, 17 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 138727107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).