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

C22H23F4N7O4 — CID 169142490

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

[(3R,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)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 169142490) has the molecular formula C22H23F4N7O4 and a molecular weight of 525.46 g/mol. Its IUPAC name is [(3R,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)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,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)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: 169142490
• Molecular Formula: C22H23F4N7O4
• Molecular Weight: 525.46 g/mol
• Exact Mass: 525.17
• IUPAC Name: [(3R,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: Cc1cnc(Nc2cc([C@H]3OC[C@@H](OC(=O)NC45CC(C4)C5)[C@@H]3F)[nH]n2)n2cc(COC(F)(F)F)nc12
• InChI: InChI=1S/C22H23F4N7O4/c1-10-6-27-19(33-7-12(28-18(10)33)8-36-22(24,25)26)29-15-2-13(31-32-15)17-16(23)14(9-35-17)37-20(34)30-21-3-11(4-21)5-21/h2,6-7,11,14,16-17H,3-5,8-9H2,1H3,(H,30,34)(H2,27,29,31,32)/t11?,14-,16+,17-,21?/m1/s1
• InChIKey: ZUFKLVLENJZGGO-CVFVQPHPSA-N
• XLogP: 3.60
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.46
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)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,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142490) is [(3R,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)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,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)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,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is Cc1cnc(Nc2cc([C@H]3OC[C@@H](OC(=O)NC45CC(C4)C5)[C@@H]3F)[nH]n2)n2cc(COC(F)(F)F)nc12.

What is the InChIKey of [(3R,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)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 ZUFKLVLENJZGGO-CVFVQPHPSA-N. The full InChI is InChI=1S/C22H23F4N7O4/c1-10-6-27-19(33-7-12(28-18(10)33)8-36-22(24,25)26)29-15-2-13(31-32-15)17-16(23)14(9-35-17)37-20(34)30-21-3-11(4-21)5-21/h2,6-7,11,14,16-17H,3-5,8-9H2,1H3,(H,30,34)(H2,27,29,31,32)/t11?,14-,16+,17-,21?/m1/s1.

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

[(3R,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)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 525.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)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 169142490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).