N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide

C34H39FN8O5 — CID 155218816

About N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide

N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 155218816) has the molecular formula C34H39FN8O5 and a molecular weight of 658.74 g/mol. Its IUPAC name is N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 155218816
• Molecular Formula: C34H39FN8O5
• Molecular Weight: 658.74 g/mol
• Exact Mass: 658.30
• IUPAC Name: N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cc(F)c(N4C[C@@H]5C(CN6CCN(c7ccc(C(=O)NC8CCCCC8)nn7)CC6)[C@@H]5C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C34H39FN8O5/c35-25-14-20-21(34(48)43(33(20)47)27-7-9-30(44)37-32(27)46)15-28(25)42-17-23-22(24(23)18-42)16-40-10-12-41(13-11-40)29-8-6-26(38-39-29)31(45)36-19-4-2-1-3-5-19/h6,8,14-15,19,22-24,27H,1-5,7,9-13,16-18H2,(H,36,45)(H,37,44,46)/t22?,23-,24+,27?
• InChIKey: GWSAAISZVRYIJK-YUSCFSIVSA-N
• XLogP: 1.58
• TPSA: 148.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.74
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide (CID 155218816) is N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide is O=C1CCC(N2C(=O)c3cc(F)c(N4C[C@@H]5C(CN6CCN(c7ccc(C(=O)NC8CCCCC8)nn7)CC6)[C@@H]5C4)cc3C2=O)C(=O)N1.

What is the InChIKey of N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide?

The InChIKey is GWSAAISZVRYIJK-YUSCFSIVSA-N. The full InChI is InChI=1S/C34H39FN8O5/c35-25-14-20-21(34(48)43(33(20)47)27-7-9-30(44)37-32(27)46)15-28(25)42-17-23-22(24(23)18-42)16-40-10-12-41(13-11-40)29-8-6-26(38-39-29)31(45)36-19-4-2-1-3-5-19/h6,8,14-15,19,22-24,27H,1-5,7,9-13,16-18H2,(H,36,45)(H,37,44,46)/t22?,23-,24+,27?.

What are the key properties of N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide?

N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 658.74 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 155218816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).