[(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C20H23F3N6O5 — CID 169141135

About [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169141135) has the molecular formula C20H23F3N6O5 and a molecular weight of 484.44 g/mol. Its IUPAC name is [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169141135
• Molecular Formula: C20H23F3N6O5
• Molecular Weight: 484.44 g/mol
• Exact Mass: 484.17
• IUPAC Name: [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: O=C(NC12CC(C1)C2)O[C@@H]1CO[C@H](c2cc(NC(=O)c3cn(CCOC(F)(F)F)cn3)n[nH]2)C1
• InChI: InChI=1S/C20H23F3N6O5/c21-20(22,23)33-2-1-29-8-14(24-10-29)17(30)25-16-4-13(27-28-16)15-3-12(9-32-15)34-18(31)26-19-5-11(6-19)7-19/h4,8,10-12,15H,1-3,5-7,9H2,(H,26,31)(H2,25,27,28,30)/t11?,12-,15-,19?/m0/s1
• InChIKey: QWIYTPNIIKREHJ-OTILFKORSA-N
• XLogP: 2.50
• TPSA: 132.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.44
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169141135) is [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@@H]1CO[C@H](c2cc(NC(=O)c3cn(CCOC(F)(F)F)cn3)n[nH]2)C1.

What is the InChIKey of [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is QWIYTPNIIKREHJ-OTILFKORSA-N. The full InChI is InChI=1S/C20H23F3N6O5/c21-20(22,23)33-2-1-29-8-14(24-10-29)17(30)25-16-4-13(27-28-16)15-3-12(9-32-15)34-18(31)26-19-5-11(6-19)7-19/h4,8,10-12,15H,1-3,5-7,9H2,(H,26,31)(H2,25,27,28,30)/t11?,12-,15-,19?/m0/s1.

What are the key properties of [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 484.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,5S)-5-[3-[[1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169141135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).