[(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

C24H22F2N4O3 — CID 165176299

About [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

[(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (PubChem CID 165176299) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
• PubChem CID: 165176299
• Molecular Formula: C24H22F2N4O3
• Molecular Weight: 452.46 g/mol
• Exact Mass: 452.17
• IUPAC Name: [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
• SMILES: Nc1nccn2c([C@H]3CC[C@H](CO)OC3)nc(-c3ccc(Oc4ccccc4)c(F)c3F)c12
• InChI: InChI=1S/C24H22F2N4O3/c25-19-17(8-9-18(20(19)26)33-15-4-2-1-3-5-15)21-22-23(27)28-10-11-30(22)24(29-21)14-6-7-16(12-31)32-13-14/h1-5,8-11,14,16,31H,6-7,12-13H2,(H2,27,28)/t14-,16+/m0/s1
• InChIKey: NEMFYVPQALTOEV-GOEBONIOSA-N
• XLogP: 4.30
• TPSA: 94.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.46
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?

The IUPAC name of [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (CID 165176299) is [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.

What is the SMILES notation for [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?

The canonical SMILES for [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is Nc1nccn2c([C@H]3CC[C@H](CO)OC3)nc(-c3ccc(Oc4ccccc4)c(F)c3F)c12.

What is the InChIKey of [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?

The InChIKey is NEMFYVPQALTOEV-GOEBONIOSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c25-19-17(8-9-18(20(19)26)33-15-4-2-1-3-5-15)21-22-23(27)28-10-11-30(22)24(29-21)14-6-7-16(12-31)32-13-14/h1-5,8-11,14,16,31H,6-7,12-13H2,(H2,27,28)/t14-,16+/m0/s1.

What are the key properties of [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?

[(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol has a molecular weight of 452.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is sourced from PubChem (CID 165176299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).