[5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

C28H29FN4O4 — CID 169023566

About [5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

[5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (PubChem CID 169023566) has the molecular formula C28H29FN4O4 and a molecular weight of 504.56 g/mol. Its IUPAC name is [5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.

Molecular Properties

• Compound Name: [5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
• PubChem CID: 169023566
• Molecular Formula: C28H29FN4O4
• Molecular Weight: 504.56 g/mol
• Exact Mass: 504.22
• IUPAC Name: [5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
• SMILES: Nc1nccn2c(C3CCC(CO)OC3)nc(-c3ccc(Oc4cccc(OCC5CC5)c4F)cc3)c12
• InChI: InChI=1S/C28H29FN4O4/c29-24-22(36-15-17-4-5-17)2-1-3-23(24)37-20-9-6-18(7-10-20)25-26-27(30)31-12-13-33(26)28(32-25)19-8-11-21(14-34)35-16-19/h1-3,6-7,9-10,12-13,17,19,21,34H,4-5,8,11,14-16H2,(H2,30,31)
• InChIKey: WEYMHUUZOOMKDR-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 104.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.56
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (CID 169023566) is [5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.

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

The canonical SMILES for [5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is Nc1nccn2c(C3CCC(CO)OC3)nc(-c3ccc(Oc4cccc(OCC5CC5)c4F)cc3)c12.

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

The InChIKey is WEYMHUUZOOMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O4/c29-24-22(36-15-17-4-5-17)2-1-3-23(24)37-20-9-6-18(7-10-20)25-26-27(30)31-12-13-33(26)28(32-25)19-8-11-21(14-34)35-16-19/h1-3,6-7,9-10,12-13,17,19,21,34H,4-5,8,11,14-16H2,(H2,30,31).

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

[5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol has a molecular weight of 504.56 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is sourced from PubChem (CID 169023566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).