5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide

C89H109N25O10 — CID 146558510

About 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide

5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide (PubChem CID 146558510) has the molecular formula C89H109N25O10 and a molecular weight of 1689.02 g/mol. Its IUPAC name is 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide
• PubChem CID: 146558510
• Molecular Formula: C89H109N25O10
• Molecular Weight: 1689.02 g/mol
• Exact Mass: 1687.88
• IUPAC Name: 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide
• SMILES: CN1C(=O)N([C@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCN(C[C@@H]6CCN(c7ccc(-c8nn(C9CCC(=O)NC9=O)c(=O)n8C)cc7)C6)CC5)cc4)n3)C2)CC1NC(=O)c1ncc(N2CCC[C@H](N3CCCC3=O)C2)nc1Nc1ccc(C2CCN(CC3CCN(c4ccc(-c5nn(C6CCC(=O)NC6=O)c(=O)n5C)cc4)CC3)CC2)cc1
• InChI: InChI=1S/C89H109N25O10/c1-102-73(54-112(87(102)122)68-8-5-38-110(53-68)71-47-91-77(79(90)118)80(95-71)93-63-18-10-57(11-19-63)60-35-42-106(43-36-60)50-56-32-46-108(51-56)66-24-16-62(17-25-66)83-101-114(89(124)104(83)3)70-27-29-75(116)99-85(70)120)97-86(121)78-81(96-72(48-92-78)109-37-4-7-67(52-109)111-39-6-9-76(111)117)94-64-20-12-58(13-21-64)59-33-40-105(41-34-59)49-55-30-44-107(45-31-55)65-22-14-61(15-23-65)82-100-113(88(123)103(82)2)69-26-28-74(115)98-84(69)119/h10-25,47-48,55-56,59-60,67-70,73H,4-9,26-46,49-54H2,1-3H3,(H2,90,118)(H,93,95)(H,94,96)(H,97,121)(H,98,115,119)(H,99,116,120)/t56-,67-,68-,69?,70?,73?/m0/s1
• InChIKey: FQMKZRXOWMQPEE-ADRILDMWSA-N
• XLogP: 6.42
• TPSA: 383.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1689.02
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide?

The IUPAC name of 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide (CID 146558510) is 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide is CN1C(=O)N([C@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCN(C[C@@H]6CCN(c7ccc(-c8nn(C9CCC(=O)NC9=O)c(=O)n8C)cc7)C6)CC5)cc4)n3)C2)CC1NC(=O)c1ncc(N2CCC[C@H](N3CCCC3=O)C2)nc1Nc1ccc(C2CCN(CC3CCN(c4ccc(-c5nn(C6CCC(=O)NC6=O)c(=O)n5C)cc4)CC3)CC2)cc1.

What is the InChIKey of 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide?

The InChIKey is FQMKZRXOWMQPEE-ADRILDMWSA-N. The full InChI is InChI=1S/C89H109N25O10/c1-102-73(54-112(87(102)122)68-8-5-38-110(53-68)71-47-91-77(79(90)118)80(95-71)93-63-18-10-57(11-19-63)60-35-42-106(43-36-60)50-56-32-46-108(51-56)66-24-16-62(17-25-66)83-101-114(89(124)104(83)3)70-27-29-75(116)99-85(70)120)97-86(121)78-81(96-72(48-92-78)109-37-4-7-67(52-109)111-39-6-9-76(111)117)94-64-20-12-58(13-21-64)59-33-40-105(41-34-59)49-55-30-44-107(45-31-55)65-22-14-61(15-23-65)82-100-113(88(123)103(82)2)69-26-28-74(115)98-84(69)119/h10-25,47-48,55-56,59-60,67-70,73H,4-9,26-46,49-54H2,1-3H3,(H2,90,118)(H,93,95)(H,94,96)(H,97,121)(H,98,115,119)(H,99,116,120)/t56-,67-,68-,69?,70?,73?/m0/s1.

What are the key properties of 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide?

5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide has a molecular weight of 1689.02 g/mol, XLogP of 6.42, 23 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-[4-[[3-[4-[1-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonyl]amino]-3-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-[4-[1-[[(3S)-1-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 146558510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).