[(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C23H25F3N8O3 — CID 169142922

About [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142922) has the molecular formula C23H25F3N8O3 and a molecular weight of 518.50 g/mol. Its IUPAC name is [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169142922
• Molecular Formula: C23H25F3N8O3
• Molecular Weight: 518.50 g/mol
• Exact Mass: 518.20
• IUPAC Name: [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: O=C(NC12CC(C1)C2)O[C@@H]1CO[C@H](c2cc(Nc3nccc4nc(CN5CC(F)(F)C5)cn34)n[nH]2)[C@@H]1F
• InChI: InChI=1S/C23H25F3N8O3/c24-18-15(37-21(35)30-22-4-12(5-22)6-22)9-36-19(18)14-3-16(32-31-14)29-20-27-2-1-17-28-13(8-34(17)20)7-33-10-23(25,26)11-33/h1-3,8,12,15,18-19H,4-7,9-11H2,(H,30,35)(H2,27,29,31,32)/t12?,15-,18-,19-,22?/m1/s1
• InChIKey: HPDDOBJMULILSC-KGHZIIBISA-N
• XLogP: 2.70
• TPSA: 121.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.50
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142922) is [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@@H]1CO[C@H](c2cc(Nc3nccc4nc(CN5CC(F)(F)C5)cn34)n[nH]2)[C@@H]1F.

What is the InChIKey of [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is HPDDOBJMULILSC-KGHZIIBISA-N. The full InChI is InChI=1S/C23H25F3N8O3/c24-18-15(37-21(35)30-22-4-12(5-22)6-22)9-36-19(18)14-3-16(32-31-14)29-20-27-2-1-17-28-13(8-34(17)20)7-33-10-23(25,26)11-33/h1-3,8,12,15,18-19H,4-7,9-11H2,(H,30,35)(H2,27,29,31,32)/t12?,15-,18-,19-,22?/m1/s1.

What are the key properties of [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 518.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).