4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

C23H19FN4O2 — CID 137053623

IUPAC4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CC5(COC5)C4)nccn23)cc1
InChIInChI=1S/C23H19FN4O2/c24-17-5-1-15(2-6-17)19-20(16-3-7-18(29)8-4-16)28-10-9-25-21(22(28)26-19)27-11-23(12-27)13-30-14-23/h1-10,29H,11-14H2
InChIKeyBBMQOBYWVMKSSA-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.74
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137053623) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137053623
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CC5(COC5)C4)nccn23)cc1
InChIInChI=1S/C23H19FN4O2/c24-17-5-1-15(2-6-17)19-20(16-3-7-18(29)8-4-16)28-10-9-25-21(22(28)26-19)27-11-23(12-27)13-30-14-23/h1-10,29H,11-14H2
InChIKeyBBMQOBYWVMKSSA-UHFFFAOYSA-N
XLogP3.74
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 137053623) is 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CC5(COC5)C4)nccn23)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is BBMQOBYWVMKSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-17-5-1-15(2-6-17)19-20(16-3-7-18(29)8-4-16)28-10-9-25-21(22(28)26-19)27-11-23(12-27)13-30-14-23/h1-10,29H,11-14H2.
What are the key properties of 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 402.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137053623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).