[(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate

C21H26F2N8O3 — CID 169142170

About [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate

[(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate (PubChem CID 169142170) has the molecular formula C21H26F2N8O3 and a molecular weight of 476.49 g/mol. Its IUPAC name is [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
• PubChem CID: 169142170
• Molecular Formula: C21H26F2N8O3
• Molecular Weight: 476.49 g/mol
• Exact Mass: 476.21
• IUPAC Name: [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
• SMILES: CC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(Nc3nccc4nc(CN5CC(F)C5)cn34)n[nH]2)[C@@H]1F
• InChI: InChI=1S/C21H26F2N8O3/c1-11(2)25-21(32)34-15-10-33-19(18(15)23)14-5-16(29-28-14)27-20-24-4-3-17-26-13(9-31(17)20)8-30-6-12(22)7-30/h3-5,9,11-12,15,18-19H,6-8,10H2,1-2H3,(H,25,32)(H2,24,27,28,29)/t15-,18-,19-/m1/s1
• InChIKey: GKYFIHIOGXUVEH-ATZDWAIDSA-N
• XLogP: 2.26
• TPSA: 121.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.49
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

The IUPAC name of [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate (CID 169142170) is [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

The canonical SMILES for [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(Nc3nccc4nc(CN5CC(F)C5)cn34)n[nH]2)[C@@H]1F.

What is the InChIKey of [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

The InChIKey is GKYFIHIOGXUVEH-ATZDWAIDSA-N. The full InChI is InChI=1S/C21H26F2N8O3/c1-11(2)25-21(32)34-15-10-33-19(18(15)23)14-5-16(29-28-14)27-20-24-4-3-17-26-13(9-31(17)20)8-30-6-12(22)7-30/h3-5,9,11-12,15,18-19H,6-8,10H2,1-2H3,(H,25,32)(H2,24,27,28,29)/t15-,18-,19-/m1/s1.

What are the key properties of [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

[(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate has a molecular weight of 476.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169142170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).