[(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C22H20F7N7O4 — CID 169140859

About [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169140859) has the molecular formula C22H20F7N7O4 and a molecular weight of 579.43 g/mol. Its IUPAC name is [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169140859
• Molecular Formula: C22H20F7N7O4
• Molecular Weight: 579.43 g/mol
• Exact Mass: 579.15
• IUPAC Name: [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]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(Nc3ncc(C(F)(F)F)c4nc(COC(F)(F)F)cn34)n[nH]2)[C@@H]1F
• InChI: InChI=1S/C22H20F7N7O4/c23-15-13(40-19(37)33-20-2-9(3-20)4-20)8-38-16(15)12-1-14(35-34-12)32-18-30-5-11(21(24,25)26)17-31-10(6-36(17)18)7-39-22(27,28)29/h1,5-6,9,13,15-16H,2-4,7-8H2,(H,33,37)(H2,30,32,34,35)/t9?,13-,15-,16-,20?/m1/s1
• InChIKey: PZPCTBYQIZMEDH-QEHQKOBHSA-N
• XLogP: 4.31
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.43
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169140859) is [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]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(Nc3ncc(C(F)(F)F)c4nc(COC(F)(F)F)cn34)n[nH]2)[C@@H]1F.

What is the InChIKey of [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is PZPCTBYQIZMEDH-QEHQKOBHSA-N. The full InChI is InChI=1S/C22H20F7N7O4/c23-15-13(40-19(37)33-20-2-9(3-20)4-20)8-38-16(15)12-1-14(35-34-12)32-18-30-5-11(21(24,25)26)17-31-10(6-36(17)18)7-39-22(27,28)29/h1,5-6,9,13,15-16H,2-4,7-8H2,(H,33,37)(H2,30,32,34,35)/t9?,13-,15-,16-,20?/m1/s1.

What are the key properties of [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 579.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169140859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).