tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate

C26H28FN5O2 — CID 25164270

About tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate (PubChem CID 25164270) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 25164270
• Molecular Formula: C26H28FN5O2
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.22
• IUPAC Name: tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3[nH]ncc3c2)CC1
• InChI: InChI=1S/C26H28FN5O2/c1-26(2,3)34-25(33)31-12-10-21(11-13-31)32-16-28-23(17-4-7-20(27)8-5-17)24(32)18-6-9-22-19(14-18)15-29-30-22/h4-9,14-16,21H,10-13H2,1-3H3,(H,29,30)
• InChIKey: KQIKYPUKLLSZEK-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.54
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate (CID 25164270) is tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3[nH]ncc3c2)CC1.

What is the InChIKey of tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate?

The InChIKey is KQIKYPUKLLSZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-26(2,3)34-25(33)31-12-10-21(11-13-31)32-16-28-23(17-4-7-20(27)8-5-17)24(32)18-6-9-22-19(14-18)15-29-30-22/h4-9,14-16,21H,10-13H2,1-3H3,(H,29,30).

What are the key properties of tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate?

tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate has a molecular weight of 461.54 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 25164270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).