[(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C19H21F4N7O2 — CID 169141757

About [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169141757) has the molecular formula C19H21F4N7O2 and a molecular weight of 455.42 g/mol. Its IUPAC name is [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 169141757
• Molecular Formula: C19H21F4N7O2
• Molecular Weight: 455.42 g/mol
• Exact Mass: 455.17
• IUPAC Name: [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• SMILES: CC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(Nc3nccc4nc(C(F)(F)F)cn34)n[nH]2)[C@@H]1F
• InChI: InChI=1S/C19H21F4N7O2/c1-9(2)25-18(31)32-12-4-3-10(16(12)20)11-7-14(29-28-11)27-17-24-6-5-15-26-13(8-30(15)17)19(21,22)23/h5-10,12,16H,3-4H2,1-2H3,(H,25,31)(H2,24,27,28,29)/t10-,12-,16-/m0/s1
• InChIKey: MPWUGVBYWMVTSV-PKWAYOAASA-N
• XLogP: 3.93
• TPSA: 109.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.42
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The IUPAC name of [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 169141757) is [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The canonical SMILES for [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(Nc3nccc4nc(C(F)(F)F)cn34)n[nH]2)[C@@H]1F.

What is the InChIKey of [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is MPWUGVBYWMVTSV-PKWAYOAASA-N. The full InChI is InChI=1S/C19H21F4N7O2/c1-9(2)25-18(31)32-12-4-3-10(16(12)20)11-7-14(29-28-11)27-17-24-6-5-15-26-13(8-30(15)17)19(21,22)23/h5-10,12,16H,3-4H2,1-2H3,(H,25,31)(H2,24,27,28,29)/t10-,12-,16-/m0/s1.

What are the key properties of [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

[(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 455.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169141757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).