[(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate

C35H44N8O4 — CID 59258094

About [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate

[(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate (PubChem CID 59258094) has the molecular formula C35H44N8O4 and a molecular weight of 640.79 g/mol. Its IUPAC name is [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
• PubChem CID: 59258094
• Molecular Formula: C35H44N8O4
• Molecular Weight: 640.79 g/mol
• Exact Mass: 640.35
• IUPAC Name: [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
• SMILES: CN1CCC(N2CCN(C(=O)[C@@H](Cc3ccc4[nH]ncc4c3)OC(=O)N3CCC(n4cc(-c5ccccc5)[nH]c4=O)CC3)CC2)CC1
• InChI: InChI=1S/C35H44N8O4/c1-39-13-9-28(10-14-39)40-17-19-41(20-18-40)33(44)32(22-25-7-8-30-27(21-25)23-36-38-30)47-35(46)42-15-11-29(12-16-42)43-24-31(37-34(43)45)26-5-3-2-4-6-26/h2-8,21,23-24,28-29,32H,9-20,22H2,1H3,(H,36,38)(H,37,45)/t32-/m1/s1
• InChIKey: QDUHWBKOSBWGJB-JGCGQSQUSA-N
• XLogP: 3.34
• TPSA: 122.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.79
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate?

The IUPAC name of [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate (CID 59258094) is [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate.

What is the SMILES notation for [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate?

The canonical SMILES for [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate is CN1CCC(N2CCN(C(=O)[C@@H](Cc3ccc4[nH]ncc4c3)OC(=O)N3CCC(n4cc(-c5ccccc5)[nH]c4=O)CC3)CC2)CC1.

What is the InChIKey of [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate?

The InChIKey is QDUHWBKOSBWGJB-JGCGQSQUSA-N. The full InChI is InChI=1S/C35H44N8O4/c1-39-13-9-28(10-14-39)40-17-19-41(20-18-40)33(44)32(22-25-7-8-30-27(21-25)23-36-38-30)47-35(46)42-15-11-29(12-16-42)43-24-31(37-34(43)45)26-5-3-2-4-6-26/h2-8,21,23-24,28-29,32H,9-20,22H2,1H3,(H,36,38)(H,37,45)/t32-/m1/s1.

What are the key properties of [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate?

[(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate has a molecular weight of 640.79 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59258094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).