(2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide

C50H54N12O5 — CID 178082064

About (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide

(2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 178082064) has the molecular formula C50H54N12O5 and a molecular weight of 903.06 g/mol. Its IUPAC name is (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
• PubChem CID: 178082064
• Molecular Formula: C50H54N12O5
• Molecular Weight: 903.06 g/mol
• Exact Mass: 902.43
• IUPAC Name: (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(N3CCN(CC4CCN(C(=O)Cn5cc(-c6ccc(NC(=O)[C@H](NCCc7ccc(C#N)cc7)c7ccccc7)nc6)cn5)CC4)CC3)cc21
• InChI: InChI=1S/C50H54N12O5/c1-57-43-27-40(12-13-41(43)62(50(57)67)42-14-16-45(63)56-48(42)65)59-25-23-58(24-26-59)31-36-18-21-60(22-19-36)46(64)33-61-32-39(30-54-61)38-11-15-44(53-29-38)55-49(66)47(37-5-3-2-4-6-37)52-20-17-34-7-9-35(28-51)10-8-34/h2-13,15,27,29-30,32,36,42,47,52H,14,16-26,31,33H2,1H3,(H,53,55,66)(H,56,63,65)/t42?,47-/m1/s1
• InChIKey: SZVCZXPBEAWGGX-IPJYTNDNSA-N
• XLogP: 4.02
• TPSA: 195.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.06
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?

The IUPAC name of (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (CID 178082064) is (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?

The canonical SMILES for (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(N3CCN(CC4CCN(C(=O)Cn5cc(-c6ccc(NC(=O)[C@H](NCCc7ccc(C#N)cc7)c7ccccc7)nc6)cn5)CC4)CC3)cc21.

What is the InChIKey of (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?

The InChIKey is SZVCZXPBEAWGGX-IPJYTNDNSA-N. The full InChI is InChI=1S/C50H54N12O5/c1-57-43-27-40(12-13-41(43)62(50(57)67)42-14-16-45(63)56-48(42)65)59-25-23-58(24-26-59)31-36-18-21-60(22-19-36)46(64)33-61-32-39(30-54-61)38-11-15-44(53-29-38)55-49(66)47(37-5-3-2-4-6-37)52-20-17-34-7-9-35(28-51)10-8-34/h2-13,15,27,29-30,32,36,42,47,52H,14,16-26,31,33H2,1H3,(H,53,55,66)(H,56,63,65)/t42?,47-/m1/s1.

What are the key properties of (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?

(2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 903.06 g/mol, XLogP of 4.02, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-[1-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 178082064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).