tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate

C19H24BrN7O2 — CID 171821154

About tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 171821154) has the molecular formula C19H24BrN7O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 171821154
• Molecular Formula: C19H24BrN7O2
• Molecular Weight: 462.35 g/mol
• Exact Mass: 461.12
• IUPAC Name: tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ncc(Br)n4ccnc34)cn2)CC1
• InChI: InChI=1S/C19H24BrN7O2/c1-19(2,3)29-18(28)25-7-4-14(5-8-25)27-12-13(10-23-27)24-16-17-21-6-9-26(17)15(20)11-22-16/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,22,24)
• InChIKey: QHXDJSILVRQPPL-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.35
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate (CID 171821154) is tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ncc(Br)n4ccnc34)cn2)CC1.

What is the InChIKey of tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate?

The InChIKey is QHXDJSILVRQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN7O2/c1-19(2,3)29-18(28)25-7-4-14(5-8-25)27-12-13(10-23-27)24-16-17-21-6-9-26(17)15(20)11-22-16/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,22,24).

What are the key properties of tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate?

tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 462.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171821154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).