N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide

C41H43FN8O7 — CID 172879121

About N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide

N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide (PubChem CID 172879121) has the molecular formula C41H43FN8O7 and a molecular weight of 778.84 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide
• PubChem CID: 172879121
• Molecular Formula: C41H43FN8O7
• Molecular Weight: 778.84 g/mol
• Exact Mass: 778.32
• IUPAC Name: N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
• InChI: InChI=1S/C41H43FN8O7/c1-57-35-20-32-24(17-29(35)37(52)43-31-3-2-12-48(41(31)56)25-8-9-25)22-49(45-32)26-6-4-23(5-7-26)21-46-13-15-47(16-14-46)34-19-28-27(18-30(34)42)39(54)50(40(28)55)33-10-11-36(51)44-38(33)53/h2-3,12,17-20,22-23,25-26,33H,4-11,13-16,21H2,1H3,(H,43,52)(H,44,51,53)
• InChIKey: HRQDVTUWDHEEHL-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 168.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.84
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide?

The IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide (CID 172879121) is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide.

What is the SMILES notation for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide?

The canonical SMILES for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide is COc1cc2nn(C3CCC(CN4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O.

What is the InChIKey of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide?

The InChIKey is HRQDVTUWDHEEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43FN8O7/c1-57-35-20-32-24(17-29(35)37(52)43-31-3-2-12-48(41(31)56)25-8-9-25)22-49(45-32)26-6-4-23(5-7-26)21-46-13-15-47(16-14-46)34-19-28-27(18-30(34)42)39(54)50(40(28)55)33-10-11-36(51)44-38(33)53/h2-3,12,17-20,22-23,25-26,33H,4-11,13-16,21H2,1H3,(H,43,52)(H,44,51,53).

What are the key properties of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide?

N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide has a molecular weight of 778.84 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 172879121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).