N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide

C122H142N28O22S3 — CID 165070169

About N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide

N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide (PubChem CID 165070169) has the molecular formula C122H142N28O22S3 and a molecular weight of 2448.85 g/mol. Its IUPAC name is N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide
• PubChem CID: 165070169
• Molecular Formula: C122H142N28O22S3
• Molecular Weight: 2448.85 g/mol
• Exact Mass: 2447.00
• IUPAC Name: N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide
• SMILES: CS(=O)(=O)c1ccc(Cc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Cc2nc(N3CCC[C@@H](NC(=O)N4CCC5(CCN(Cc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)cc1.Cc1cc(Cc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)C3)cnc2C(N)=O)sn1
• InChI: InChI=1S/C42H49N9O8S.C41H47N9O8S.C39H46N10O6S/c1-60(58,59)30-7-4-25(5-8-30)19-33-37(38(43)53)44-21-35(46-33)50-15-2-3-28(24-50)45-39(54)27-14-16-48(23-27)22-26-12-17-49(18-13-26)29-6-9-31-32(20-29)42(57)51(41(31)56)34-10-11-36(52)47-40(34)55;1-59(57,58)28-7-4-25(5-8-28)20-31-35(36(42)52)43-21-33(45-31)49-15-2-3-27(23-49)44-40(56)48-17-13-41(14-18-48)12-16-47(24-41)22-26-6-9-29-30(19-26)39(55)50(38(29)54)32-10-11-34(51)46-37(32)53;1-22-15-27(56-45-22)17-30-34(35(40)51)41-18-32(43-30)48-11-2-3-25(21-48)42-36(52)24-10-12-46(20-24)19-23-8-13-47(14-9-23)26-4-5-28-29(16-26)39(55)49(38(28)54)31-6-7-33(50)44-37(31)53/h4-9,20-21,26-28,34H,2-3,10-19,22-24H2,1H3,(H2,43,53)(H,45,54)(H,47,52,55);4-9,19,21,27,32H,2-3,10-18,20,22-24H2,1H3,(H2,42,52)(H,44,56)(H,46,51,53);4-5,15-16,18,23-25,31H,2-3,6-14,17,19-21H2,1H3,(H2,40,51)(H,42,52)(H,44,50,53)/t27?,28-,34?;27-,32?;24?,25-,31?/m111/s1
• InChIKey: SPXDRQGGIKFMHT-WWHAAJTRSA-N
• XLogP: 4.59
• TPSA: 654.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.85
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide?

The IUPAC name of N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide (CID 165070169) is N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide is CS(=O)(=O)c1ccc(Cc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Cc2nc(N3CCC[C@@H](NC(=O)N4CCC5(CCN(Cc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C3)cnc2C(N)=O)cc1.Cc1cc(Cc2nc(N3CCC[C@@H](NC(=O)C4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)C3)cnc2C(N)=O)sn1.

What is the InChIKey of N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide?

The InChIKey is SPXDRQGGIKFMHT-WWHAAJTRSA-N. The full InChI is InChI=1S/C42H49N9O8S.C41H47N9O8S.C39H46N10O6S/c1-60(58,59)30-7-4-25(5-8-30)19-33-37(38(43)53)44-21-35(46-33)50-15-2-3-28(24-50)45-39(54)27-14-16-48(23-27)22-26-12-17-49(18-13-26)29-6-9-31-32(20-29)42(57)51(41(31)56)34-10-11-36(52)47-40(34)55;1-59(57,58)28-7-4-25(5-8-28)20-31-35(36(42)52)43-21-33(45-31)49-15-2-3-27(23-49)44-40(56)48-17-13-41(14-18-48)12-16-47(24-41)22-26-6-9-29-30(19-26)39(55)50(38(29)54)32-10-11-34(51)46-37(32)53;1-22-15-27(56-45-22)17-30-34(35(40)51)41-18-32(43-30)48-11-2-3-25(21-48)42-36(52)24-10-12-46(20-24)19-23-8-13-47(14-9-23)26-4-5-28-29(16-26)39(55)49(38(28)54)31-6-7-33(50)44-37(31)53/h4-9,20-21,26-28,34H,2-3,10-19,22-24H2,1H3,(H2,43,53)(H,45,54)(H,47,52,55);4-9,19,21,27,32H,2-3,10-18,20,22-24H2,1H3,(H2,42,52)(H,44,56)(H,46,51,53);4-5,15-16,18,23-25,31H,2-3,6-14,17,19-21H2,1H3,(H2,40,51)(H,42,52)(H,44,50,53)/t27?,28-,34?;27-,32?;24?,25-,31?/m111/s1.

What are the key properties of N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide?

N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 2448.85 g/mol, XLogP of 4.59, 30 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide;5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 165070169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).