5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide

C52H62N12O6 — CID 164540232

About 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide

5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide (PubChem CID 164540232) has the molecular formula C52H62N12O6 and a molecular weight of 951.15 g/mol. Its IUPAC name is 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide
• PubChem CID: 164540232
• Molecular Formula: C52H62N12O6
• Molecular Weight: 951.15 g/mol
• Exact Mass: 950.49
• IUPAC Name: 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide
• SMILES: C[C@@H]1[C@@H](N2CCn3c(cc4c3CC(C)(C)C4)C2=O)CCCN1c1cnc(C(N)=O)c(Nc2ccc(N3CCN(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C[C@@H]3C)cn2)c1
• InChI: InChI=1S/C52H62N12O6/c1-30-29-59(33-13-16-58(17-14-33)34-7-9-37-38(23-34)50(69)64(49(37)68)41-10-12-45(65)57-48(41)67)18-19-60(30)35-8-11-44(54-27-35)56-39-24-36(28-55-46(39)47(53)66)61-15-5-6-40(31(61)2)63-21-20-62-42(51(63)70)22-32-25-52(3,4)26-43(32)62/h7-9,11,22-24,27-28,30-31,33,40-41H,5-6,10,12-21,25-26,29H2,1-4H3,(H2,53,66)(H,54,56)(H,57,65,67)/t30-,31+,40-,41?/m0/s1
• InChIKey: KOXAOTINMYDUBD-NDDRURQLSA-N
• XLogP: 4.34
• TPSA: 202.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.15
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide?

The IUPAC name of 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide (CID 164540232) is 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide is C[C@@H]1[C@@H](N2CCn3c(cc4c3CC(C)(C)C4)C2=O)CCCN1c1cnc(C(N)=O)c(Nc2ccc(N3CCN(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C[C@@H]3C)cn2)c1.

What is the InChIKey of 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide?

The InChIKey is KOXAOTINMYDUBD-NDDRURQLSA-N. The full InChI is InChI=1S/C52H62N12O6/c1-30-29-59(33-13-16-58(17-14-33)34-7-9-37-38(23-34)50(69)64(49(37)68)41-10-12-45(65)57-48(41)67)18-19-60(30)35-8-11-44(54-27-35)56-39-24-36(28-55-46(39)47(53)66)61-15-5-6-40(31(61)2)63-21-20-62-42(51(63)70)22-32-25-52(3,4)26-43(32)62/h7-9,11,22-24,27-28,30-31,33,40-41H,5-6,10,12-21,25-26,29H2,1-4H3,(H2,53,66)(H,54,56)(H,57,65,67)/t30-,31+,40-,41?/m0/s1.

What are the key properties of 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide?

5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide has a molecular weight of 951.15 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3S)-3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-2-methylpiperidin-1-yl]-3-[[5-[(2S)-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 164540232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).