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

C20H20F5N7O4 — CID 169140766

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

[4-fluoro-5-[3-[[8-fluoro-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169140766) has the molecular formula C20H20F5N7O4 and a molecular weight of 517.42 g/mol. Its IUPAC name is [4-fluoro-5-[3-[[8-fluoro-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: [4-fluoro-5-[3-[[8-fluoro-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169140766
• Molecular Formula: C20H20F5N7O4
• Molecular Weight: 517.42 g/mol
• Exact Mass: 517.15
• IUPAC Name: [4-fluoro-5-[3-[[8-fluoro-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC1(NC(=O)OC2COC(c3cc(Nc4ncc(F)c5nc(COC(F)(F)F)cn45)n[nH]3)C2F)CC1
• InChI: InChI=1S/C20H20F5N7O4/c1-19(2-3-19)29-18(33)36-12-8-34-15(14(12)22)11-4-13(31-30-11)28-17-26-5-10(21)16-27-9(6-32(16)17)7-35-20(23,24)25/h4-6,12,14-15H,2-3,7-8H2,1H3,(H,29,33)(H2,26,28,30,31)
• InChIKey: GGFTYZWHFCSEGI-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.42
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-5-[3-[[8-fluoro-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 [4-fluoro-5-[3-[[8-fluoro-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169140766) is [4-fluoro-5-[3-[[8-fluoro-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 [4-fluoro-5-[3-[[8-fluoro-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 [4-fluoro-5-[3-[[8-fluoro-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)OC2COC(c3cc(Nc4ncc(F)c5nc(COC(F)(F)F)cn45)n[nH]3)C2F)CC1.

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

The InChIKey is GGFTYZWHFCSEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N7O4/c1-19(2-3-19)29-18(33)36-12-8-34-15(14(12)22)11-4-13(31-30-11)28-17-26-5-10(21)16-27-9(6-32(16)17)7-35-20(23,24)25/h4-6,12,14-15H,2-3,7-8H2,1H3,(H,29,33)(H2,26,28,30,31).

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

[4-fluoro-5-[3-[[8-fluoro-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 517.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-fluoro-5-[3-[[8-fluoro-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 169140766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).