N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide

C48H57ClN8O6 — CID 146567367

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 146567367) has the molecular formula C48H57ClN8O6 and a molecular weight of 877.49 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 146567367
• Molecular Formula: C48H57ClN8O6
• Molecular Weight: 877.49 g/mol
• Exact Mass: 876.41
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: CC(C)N(CC1CCN(c2cnc(C(=O)NC3C(C)(C)C(Oc4ccc(C#N)c(Cl)c4)C3(C)C)cn2)CC1)C1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C32CC2)C1
• InChI: InChI=1S/C48H57ClN8O6/c1-27(2)56(30-19-33(20-30)62-31-9-10-35-34(21-31)43(61)57(48(35)15-16-48)38-11-12-40(58)53-42(38)60)26-28-13-17-55(18-14-28)39-25-51-37(24-52-39)41(59)54-44-46(3,4)45(47(44,5)6)63-32-8-7-29(23-50)36(49)22-32/h7-10,21-22,24-25,27-28,30,33,38,44-45H,11-20,26H2,1-6H3,(H,54,59)(H,53,58,60)
• InChIKey: LTWHPJOFZBASIH-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 170.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.49
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
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 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide (CID 146567367) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide is CC(C)N(CC1CCN(c2cnc(C(=O)NC3C(C)(C)C(Oc4ccc(C#N)c(Cl)c4)C3(C)C)cn2)CC1)C1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C32CC2)C1.

What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is LTWHPJOFZBASIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H57ClN8O6/c1-27(2)56(30-19-33(20-30)62-31-9-10-35-34(21-31)43(61)57(48(35)15-16-48)38-11-12-40(58)53-42(38)60)26-28-13-17-55(18-14-28)39-25-51-37(24-52-39)41(59)54-44-46(3,4)45(47(44,5)6)63-32-8-7-29(23-50)36(49)22-32/h7-10,21-22,24-25,27-28,30,33,38,44-45H,11-20,26H2,1-6H3,(H,54,59)(H,53,58,60).

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 877.49 g/mol, XLogP of 6.40, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2'-(2,6-dioxopiperidin-3-yl)-3'-oxospiro[cyclopropane-1,1'-isoindole]-5'-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146567367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).