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

C41H41ClFN9O6 — CID 162786063

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

5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide (PubChem CID 162786063) has the molecular formula C41H41ClFN9O6 and a molecular weight of 810.29 g/mol. Its IUPAC name is 5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide
• PubChem CID: 162786063
• Molecular Formula: C41H41ClFN9O6
• Molecular Weight: 810.29 g/mol
• Exact Mass: 809.29
• IUPAC Name: 5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(N3C(=O)CC[C@@H](N4C(=O)c5cc(F)c(N6CCN(CC7[C@H]8CN(c9cnc(C(N)=O)cn9)C[C@H]78)CC6)cc5C4=O)C3=O)CC2)cc1Cl
• InChI: InChI=1S/C41H41ClFN9O6/c42-31-13-25(4-1-22(31)16-44)58-24-5-2-23(3-6-24)51-37(53)8-7-34(41(51)57)52-39(55)26-14-32(43)35(15-27(26)40(52)56)49-11-9-48(10-12-49)19-28-29-20-50(21-30(28)29)36-18-46-33(17-47-36)38(45)54/h1,4,13-15,17-18,23-24,28-30,34H,2-3,5-12,19-21H2,(H2,45,54)/t23?,24?,29-,30-,34-/m1/s1
• InChIKey: SGJVCQUGVARHAP-PFCBIXPFSA-N
• XLogP: 3.25
• TPSA: 186.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.29
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
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 5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide (CID 162786063) is 5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide.

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

The canonical SMILES for 5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide is N#Cc1ccc(OC2CCC(N3C(=O)CC[C@@H](N4C(=O)c5cc(F)c(N6CCN(CC7[C@H]8CN(c9cnc(C(N)=O)cn9)C[C@H]78)CC6)cc5C4=O)C3=O)CC2)cc1Cl.

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

The InChIKey is SGJVCQUGVARHAP-PFCBIXPFSA-N. The full InChI is InChI=1S/C41H41ClFN9O6/c42-31-13-25(4-1-22(31)16-44)58-24-5-2-23(3-6-24)51-37(53)8-7-34(41(51)57)52-39(55)26-14-32(43)35(15-27(26)40(52)56)49-11-9-48(10-12-49)19-28-29-20-50(21-30(28)29)36-18-46-33(17-47-36)38(45)54/h1,4,13-15,17-18,23-24,28-30,34H,2-3,5-12,19-21H2,(H2,45,54)/t23?,24?,29-,30-,34-/m1/s1.

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

5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide has a molecular weight of 810.29 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162786063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).