N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide

C43H38N8O10S2 — CID 170359925

About N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide

N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide (PubChem CID 170359925) has the molecular formula C43H38N8O10S2 and a molecular weight of 890.96 g/mol. Its IUPAC name is N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
• PubChem CID: 170359925
• Molecular Formula: C43H38N8O10S2
• Molecular Weight: 890.96 g/mol
• Exact Mass: 890.22
• IUPAC Name: N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
• SMILES: CS(=O)(=O)n1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccnc(C5(C(=O)N6CC(COc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)c4)c3)cs2)c1
• InChI: InChI=1S/C43H38N8O10S2/c1-63(59,60)50-15-11-28(21-50)37(54)45-18-35(53)48-42-46-30(23-62-42)27-5-2-4-25(16-27)26-10-14-44-33(17-26)43(12-13-43)41(58)49-19-24(20-49)22-61-32-7-3-6-29-36(32)40(57)51(39(29)56)31-8-9-34(52)47-38(31)55/h2-7,10-11,14-17,21,23-24,31H,8-9,12-13,18-20,22H2,1H3,(H,45,54)(H,46,48,53)(H,47,52,55)
• InChIKey: CVLGCMQVTFUUTL-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 236.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.96
LogP ≤ 5	2.82
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 N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide?

The IUPAC name of N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide (CID 170359925) is N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide.

What is the SMILES notation for N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide?

The canonical SMILES for N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide is CS(=O)(=O)n1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccnc(C5(C(=O)N6CC(COc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)c4)c3)cs2)c1.

What is the InChIKey of N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide?

The InChIKey is CVLGCMQVTFUUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N8O10S2/c1-63(59,60)50-15-11-28(21-50)37(54)45-18-35(53)48-42-46-30(23-62-42)27-5-2-4-25(16-27)26-10-14-44-33(17-26)43(12-13-43)41(58)49-19-24(20-49)22-61-32-7-3-6-29-36(32)40(57)51(39(29)56)31-8-9-34(52)47-38(31)55/h2-7,10-11,14-17,21,23-24,31H,8-9,12-13,18-20,22H2,1H3,(H,45,54)(H,46,48,53)(H,47,52,55).

What are the key properties of N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide?

N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide has a molecular weight of 890.96 g/mol, XLogP of 2.82, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[3-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]azetidine-1-carbonyl]cyclopropyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 170359925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).