6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide

C49H51N11O5S — CID 175604303

About 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide

6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide (PubChem CID 175604303) has the molecular formula C49H51N11O5S and a molecular weight of 906.09 g/mol. Its IUPAC name is 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide
• PubChem CID: 175604303
• Molecular Formula: C49H51N11O5S
• Molecular Weight: 906.09 g/mol
• Exact Mass: 905.38
• IUPAC Name: 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide
• SMILES: CC1CCN(c2cnc(Sc3cccc(C4c5ccc(C(N)=O)cc5CC4N4CCN(c5ccc(C(=O)NCc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)nn5)CC4)c3)cn2)CC1
• InChI: InChI=1S/C49H51N11O5S/c1-29-13-15-58(16-14-29)42-26-52-44(27-51-42)66-35-4-2-3-31(23-35)45-36-8-6-32(46(50)62)22-33(36)24-40(45)57-17-19-59(20-18-57)41-11-9-38(55-56-41)47(63)53-25-30-5-7-37-34(21-30)28-60(49(37)65)39-10-12-43(61)54-48(39)64/h2-9,11,21-23,26-27,29,39-40,45H,10,12-20,24-25,28H2,1H3,(H2,50,62)(H,53,63)(H,54,61,64)
• InChIKey: XQZDKDNPJLVXOX-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 199.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.09
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide (CID 175604303) is 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide is CC1CCN(c2cnc(Sc3cccc(C4c5ccc(C(N)=O)cc5CC4N4CCN(c5ccc(C(=O)NCc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)nn5)CC4)c3)cn2)CC1.

What is the InChIKey of 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide?

The InChIKey is XQZDKDNPJLVXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H51N11O5S/c1-29-13-15-58(16-14-29)42-26-52-44(27-51-42)66-35-4-2-3-31(23-35)45-36-8-6-32(46(50)62)22-33(36)24-40(45)57-17-19-59(20-18-57)41-11-9-38(55-56-41)47(63)53-25-30-5-7-37-34(21-30)28-60(49(37)65)39-10-12-43(61)54-48(39)64/h2-9,11,21-23,26-27,29,39-40,45H,10,12-20,24-25,28H2,1H3,(H2,50,62)(H,53,63)(H,54,61,64).

What are the key properties of 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide?

6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 906.09 g/mol, XLogP of 4.32, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-carbamoyl-1-[3-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 175604303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).