N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide

C49H58N8O7 — CID 175856350

About N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide (PubChem CID 175856350) has the molecular formula C49H58N8O7 and a molecular weight of 871.05 g/mol. Its IUPAC name is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 175856350
• Molecular Formula: C49H58N8O7
• Molecular Weight: 871.05 g/mol
• Exact Mass: 870.44
• IUPAC Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide
• SMILES: Cc1cc(OC2C(C)(C)C(NC(=O)c3cnc(N4CC5(CC(CN(C(C)C)C6CC(Oc7ccc8c(c7)C(=O)N([C@@H]7CCC(=O)NC7=O)C8=O)C6)C5)C4)cn3)C2(C)C)cc(C)c1C#N
• InChI: InChI=1S/C49H58N8O7/c1-26(2)56(30-15-33(16-30)63-31-9-10-34-35(17-31)44(62)57(43(34)61)38-11-12-40(58)53-42(38)60)23-29-18-49(19-29)24-55(25-49)39-22-51-37(21-52-39)41(59)54-45-47(5,6)46(48(45,7)8)64-32-13-27(3)36(20-50)28(4)14-32/h9-10,13-14,17,21-22,26,29-30,33,38,45-46H,11-12,15-16,18-19,23-25H2,1-8H3,(H,54,59)(H,53,58,60)/t30?,33?,38-,45?,46?/m1/s1
• InChIKey: UJLUBYLPBMQFFO-XVHVVBQOSA-N
• XLogP: 5.52
• TPSA: 187.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.05
LogP ≤ 5	5.52
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-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide (CID 175856350) is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide is Cc1cc(OC2C(C)(C)C(NC(=O)c3cnc(N4CC5(CC(CN(C(C)C)C6CC(Oc7ccc8c(c7)C(=O)N([C@@H]7CCC(=O)NC7=O)C8=O)C6)C5)C4)cn3)C2(C)C)cc(C)c1C#N.

What is the InChIKey of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide?

The InChIKey is UJLUBYLPBMQFFO-XVHVVBQOSA-N. The full InChI is InChI=1S/C49H58N8O7/c1-26(2)56(30-15-33(16-30)63-31-9-10-34-35(17-31)44(62)57(43(34)61)38-11-12-40(58)53-42(38)60)23-29-18-49(19-29)24-55(25-49)39-22-51-37(21-52-39)41(59)54-45-47(5,6)46(48(45,7)8)64-32-13-27(3)36(20-50)28(4)14-32/h9-10,13-14,17,21-22,26,29-30,33,38,45-46H,11-12,15-16,18-19,23-25H2,1-8H3,(H,54,59)(H,53,58,60)/t30?,33?,38-,45?,46?/m1/s1.

What are the key properties of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide?

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide has a molecular weight of 871.05 g/mol, XLogP of 5.52, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[6-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 175856350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).