[(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C21H23F4N7O5 — CID 169141640

About [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141640) has the molecular formula C21H23F4N7O5 and a molecular weight of 529.45 g/mol. Its IUPAC name is [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169141640
• Molecular Formula: C21H23F4N7O5
• Molecular Weight: 529.45 g/mol
• Exact Mass: 529.17
• IUPAC Name: [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: COc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@H]3OC[C@@H](OC(=O)NC4(C)CC4)[C@H]3F)[nH]n2)n1
• InChI: InChI=1S/C21H23F4N7O5/c1-20(3-4-20)29-19(33)37-12-9-35-17(16(12)22)11-5-13(31-30-11)27-18-28-15(34-2)6-14-26-10(7-32(14)18)8-36-21(23,24)25/h5-7,12,16-17H,3-4,8-9H2,1-2H3,(H,29,33)(H2,27,28,30,31)/t12-,16-,17-/m1/s1
• InChIKey: MJZZKDRAAVPUBD-CSMYWGQOSA-N
• XLogP: 3.30
• TPSA: 136.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.45
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169141640) is [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is COc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@H]3OC[C@@H](OC(=O)NC4(C)CC4)[C@H]3F)[nH]n2)n1.

What is the InChIKey of [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is MJZZKDRAAVPUBD-CSMYWGQOSA-N. The full InChI is InChI=1S/C21H23F4N7O5/c1-20(3-4-20)29-19(33)37-12-9-35-17(16(12)22)11-5-13(31-30-11)27-18-28-15(34-2)6-14-26-10(7-32(14)18)8-36-21(23,24)25/h5-7,12,16-17H,3-4,8-9H2,1-2H3,(H,29,33)(H2,27,28,30,31)/t12-,16-,17-/m1/s1.

What are the key properties of [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 529.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,5R)-4-fluoro-5-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).