5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide

About 5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-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]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 164970909) has the molecular formula C42H49N9O8S and a molecular weight of 839.98 g/mol. Its IUPAC name is 5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name	5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID	164970909
Molecular Formula	C42H49N9O8S
Molecular Weight	839.98 g/mol
Exact Mass	839.34
IUPAC Name	5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide
SMILES	CS(=O)(=O)c1ccc(Cc2nc(N3CCC[C@@H](NC(=O)C4CCN(C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cnc2C(N)=O)cc1
InChI	InChI=1S/C42H49N9O8S/c1-60(58,59)30-7-4-25(5-8-30)21-33-37(38(43)53)44-23-35(46-33)50-16-2-3-27(24-50)45-39(54)26-12-17-48(18-13-26)28-14-19-49(20-15-28)29-6-9-31-32(22-29)42(57)51(41(31)56)34-10-11-36(52)47-40(34)55/h4-9,22-23,26-28,34H,2-3,10-21,24H2,1H3,(H2,43,53)(H,45,54)(H,47,52,55)/t27-,34?/m1/s1
InChIKey	DCKDCMOPODYDFK-RVLHTLCESA-N
XLogP	1.44
TPSA	225.38 Å²
H-Bond Donors	3
H-Bond Acceptors	13
Rotatable Bonds	10
Heavy Atoms	60
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.98
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide?

The IUPAC name of 5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide (CID 164970909) is 5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide?

The canonical SMILES for 5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide is CS(=O)(=O)c1ccc(Cc2nc(N3CCC[C@@H](NC(=O)C4CCN(C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cnc2C(N)=O)cc1.

What is the InChIKey of 5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide?

The InChIKey is DCKDCMOPODYDFK-RVLHTLCESA-N. The full InChI is InChI=1S/C42H49N9O8S/c1-60(58,59)30-7-4-25(5-8-30)21-33-37(38(43)53)44-23-35(46-33)50-16-2-3-27(24-50)45-39(54)26-12-17-48(18-13-26)28-14-19-49(20-15-28)29-6-9-31-32(22-29)42(57)51(41(31)56)34-10-11-36(52)47-40(34)55/h4-9,22-23,26-28,34H,2-3,10-21,24H2,1H3,(H2,43,53)(H,45,54)(H,47,52,55)/t27-,34?/m1/s1.

What are the key properties of 5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-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]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 839.98 g/mol, XLogP of 1.44, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 164970909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).