5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide

About 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide

5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide (PubChem CID 164762654) has the molecular formula C41H48N10O8S and a molecular weight of 840.96 g/mol. Its IUPAC name is 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name	5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
PubChem CID	164762654
Molecular Formula	C41H48N10O8S
Molecular Weight	840.96 g/mol
Exact Mass	840.34
IUPAC Name	5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
SMILES	CS(=O)(=O)c1ccc(Nc2nc(N3CCC[C@@H](C4CC(C(N)=O)CCN4C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)cnc2C(N)=O)cc1
InChI	InChI=1S/C41H48N10O8S/c1-60(58,59)28-7-4-25(5-8-28)45-38-35(37(43)54)44-21-33(46-38)49-15-2-3-24(22-49)32-19-23(36(42)53)12-18-50(32)26-13-16-48(17-14-26)27-6-9-29-30(20-27)41(57)51(40(29)56)31-10-11-34(52)47-39(31)55/h4-9,20-21,23-24,26,31-32H,2-3,10-19,22H2,1H3,(H2,42,53)(H2,43,54)(H,45,46)(H,47,52,55)/t23?,24-,31?,32?/m1/s1
InChIKey	GDJMVHRNUOLWIL-QBFROGHGSA-N
XLogP	1.58
TPSA	251.40 Å²
H-Bond Donors	4
H-Bond Acceptors	14
Rotatable Bonds	10
Heavy Atoms	60
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.96
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide?

The IUPAC name of 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide (CID 164762654) is 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide?

The canonical SMILES for 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide is CS(=O)(=O)c1ccc(Nc2nc(N3CCC[C@@H](C4CC(C(N)=O)CCN4C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)cnc2C(N)=O)cc1.

What is the InChIKey of 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide?

The InChIKey is GDJMVHRNUOLWIL-QBFROGHGSA-N. The full InChI is InChI=1S/C41H48N10O8S/c1-60(58,59)28-7-4-25(5-8-28)45-38-35(37(43)54)44-21-33(46-38)49-15-2-3-24(22-49)32-19-23(36(42)53)12-18-50(32)26-13-16-48(17-14-26)27-6-9-29-30(20-27)41(57)51(40(29)56)31-10-11-34(52)47-39(31)55/h4-9,20-21,23-24,26,31-32H,2-3,10-19,22H2,1H3,(H2,42,53)(H2,43,54)(H,45,46)(H,47,52,55)/t23?,24-,31?,32?/m1/s1.

What are the key properties of 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide?

5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide has a molecular weight of 840.96 g/mol, XLogP of 1.58, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 164762654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).