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

C22H22F7N7O3 — CID 169142857

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

[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142857) has the molecular formula C22H22F7N7O3 and a molecular weight of 565.45 g/mol. Its IUPAC name is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169142857
• Molecular Formula: C22H22F7N7O3
• Molecular Weight: 565.45 g/mol
• Exact Mass: 565.17
• IUPAC Name: [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC1(NC(=O)O[C@H]2C[C@@H](c3cc(Nc4nc(C(F)(F)F)cc5nc(COC(F)(F)F)cn45)n[nH]3)C[C@H]2F)CC1
• InChI: InChI=1S/C22H22F7N7O3/c1-20(2-3-20)33-19(37)39-14-5-10(4-12(14)23)13-6-16(35-34-13)32-18-31-15(21(24,25)26)7-17-30-11(8-36(17)18)9-38-22(27,28)29/h6-8,10,12,14H,2-5,9H2,1H3,(H,33,37)(H2,31,32,34,35)/t10-,12+,14-/m0/s1
• InChIKey: NJDJIZWUIMJBRJ-SUHUHFCYSA-N
• XLogP: 5.11
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.45
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169142857) is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

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

The canonical SMILES for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2C[C@@H](c3cc(Nc4nc(C(F)(F)F)cc5nc(COC(F)(F)F)cn45)n[nH]3)C[C@H]2F)CC1.

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

The InChIKey is NJDJIZWUIMJBRJ-SUHUHFCYSA-N. The full InChI is InChI=1S/C22H22F7N7O3/c1-20(2-3-20)33-19(37)39-14-5-10(4-12(14)23)13-6-16(35-34-13)32-18-31-15(21(24,25)26)7-17-30-11(8-36(17)18)9-38-22(27,28)29/h6-8,10,12,14H,2-5,9H2,1H3,(H,33,37)(H2,31,32,34,35)/t10-,12+,14-/m0/s1.

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

[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 565.45 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).