6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide

C37H35ClN8O6 — CID 168872793

About 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide

6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide (PubChem CID 168872793) has the molecular formula C37H35ClN8O6 and a molecular weight of 723.19 g/mol. Its IUPAC name is 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide
• PubChem CID: 168872793
• Molecular Formula: C37H35ClN8O6
• Molecular Weight: 723.19 g/mol
• Exact Mass: 722.24
• IUPAC Name: 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(N3C(=O)CC[C@@H](N4C(=O)c5ccc(CN6[C@@H]7C[C@@H]6CN(c6ccc(C(N)=O)nn6)C7)cc5C4=O)C3=O)CC2)cc1Cl
• InChI: InChI=1S/C37H35ClN8O6/c38-29-15-26(5-2-21(29)16-39)52-25-6-3-22(4-7-25)45-33(47)12-10-31(37(45)51)46-35(49)27-8-1-20(13-28(27)36(46)50)17-44-23-14-24(44)19-43(18-23)32-11-9-30(34(40)48)41-42-32/h1-2,5,8-9,11,13,15,22-25,31H,3-4,6-7,10,12,14,17-19H2,(H2,40,48)/t22?,23-,24-,25?,31-/m1/s1
• InChIKey: GIIYUUMONQMBCS-MZITWDJGSA-N
• XLogP: 3.07
• TPSA: 183.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.19
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide?

The IUPAC name of 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide (CID 168872793) is 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide?

The canonical SMILES for 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide is N#Cc1ccc(OC2CCC(N3C(=O)CC[C@@H](N4C(=O)c5ccc(CN6[C@@H]7C[C@@H]6CN(c6ccc(C(N)=O)nn6)C7)cc5C4=O)C3=O)CC2)cc1Cl.

What is the InChIKey of 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide?

The InChIKey is GIIYUUMONQMBCS-MZITWDJGSA-N. The full InChI is InChI=1S/C37H35ClN8O6/c38-29-15-26(5-2-21(29)16-39)52-25-6-3-22(4-7-25)45-33(47)12-10-31(37(45)51)46-35(49)27-8-1-20(13-28(27)36(46)50)17-44-23-14-24(44)19-43(18-23)32-11-9-30(34(40)48)41-42-32/h1-2,5,8-9,11,13,15,22-25,31H,3-4,6-7,10,12,14,17-19H2,(H2,40,48)/t22?,23-,24-,25?,31-/m1/s1.

What are the key properties of 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide?

6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide has a molecular weight of 723.19 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 168872793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).