4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol

C23H21FN4O2 — CID 137053630

IUPAC4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(Cc3cccc(F)c3)nc3c(N4CCOCC4)nccn23)cc1
InChIInChI=1S/C23H21FN4O2/c24-18-3-1-2-16(14-18)15-20-21(17-4-6-19(29)7-5-17)28-9-8-25-22(23(28)26-20)27-10-12-30-13-11-27/h1-9,14,29H,10-13,15H2
InChIKeyDZMPLGVDXCBFQW-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.67
Rot. Bonds4

About 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol

4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137053630) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137053630
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(Cc3cccc(F)c3)nc3c(N4CCOCC4)nccn23)cc1
InChIInChI=1S/C23H21FN4O2/c24-18-3-1-2-16(14-18)15-20-21(17-4-6-19(29)7-5-17)28-9-8-25-22(23(28)26-20)27-10-12-30-13-11-27/h1-9,14,29H,10-13,15H2
InChIKeyDZMPLGVDXCBFQW-UHFFFAOYSA-N
XLogP3.67
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol (CID 137053630) is 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2c(Cc3cccc(F)c3)nc3c(N4CCOCC4)nccn23)cc1.
What is the InChIKey of 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is DZMPLGVDXCBFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-18-3-1-2-16(14-18)15-20-21(17-4-6-19(29)7-5-17)28-9-8-25-22(23(28)26-20)27-10-12-30-13-11-27/h1-9,14,29H,10-13,15H2.
What are the key properties of 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 404.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorophenyl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137053630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).