tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C30H39N7O4 — CID 170432860

About tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 170432860) has the molecular formula C30H39N7O4 and a molecular weight of 561.69 g/mol. Its IUPAC name is tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
• PubChem CID: 170432860
• Molecular Formula: C30H39N7O4
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.31
• IUPAC Name: tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
• SMILES: Cc1nc(C2CCN(c3cccc4c(C5CCC(=O)NC5=O)nn(C)c34)CC2)c2n1CCN(C(=O)OC(C)(C)C)C2
• InChI: InChI=1S/C30H39N7O4/c1-18-31-25(23-17-36(15-16-37(18)23)29(40)41-30(2,3)4)19-11-13-35(14-12-19)22-8-6-7-20-26(33-34(5)27(20)22)21-9-10-24(38)32-28(21)39/h6-8,19,21H,9-17H2,1-5H3,(H,32,38,39)
• InChIKey: IVJJMJRIKNRUPZ-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 114.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?

The IUPAC name of tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 170432860) is tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

What is the SMILES notation for tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?

The canonical SMILES for tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is Cc1nc(C2CCN(c3cccc4c(C5CCC(=O)NC5=O)nn(C)c34)CC2)c2n1CCN(C(=O)OC(C)(C)C)C2.

What is the InChIKey of tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?

The InChIKey is IVJJMJRIKNRUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O4/c1-18-31-25(23-17-36(15-16-37(18)23)29(40)41-30(2,3)4)19-11-13-35(14-12-19)22-8-6-7-20-26(33-34(5)27(20)22)21-9-10-24(38)32-28(21)39/h6-8,19,21H,9-17H2,1-5H3,(H,32,38,39).

What are the key properties of tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?

tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 561.69 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 170432860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).