4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C22H23ClN6O2 — CID 155514050

IUPAC4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCn1cc(-c2c(-c3ccc(Cl)cc3)nc3c(N4CCOCC4)nccn23)cn1
InChIInChI=1S/C22H23ClN6O2/c1-30-11-10-28-15-17(14-25-28)20-19(16-2-4-18(23)5-3-16)26-22-21(24-6-7-29(20)22)27-8-12-31-13-9-27/h2-7,14-15H,8-13H2,1H3
InChIKeyTXZWJUACJCVHQE-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.40
Rot. Bonds6

About 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 155514050) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID155514050
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCn1cc(-c2c(-c3ccc(Cl)cc3)nc3c(N4CCOCC4)nccn23)cn1
InChIInChI=1S/C22H23ClN6O2/c1-30-11-10-28-15-17(14-25-28)20-19(16-2-4-18(23)5-3-16)26-22-21(24-6-7-29(20)22)27-8-12-31-13-9-27/h2-7,14-15H,8-13H2,1H3
InChIKeyTXZWJUACJCVHQE-UHFFFAOYSA-N
XLogP3.40
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 155514050) is 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine is COCCn1cc(-c2c(-c3ccc(Cl)cc3)nc3c(N4CCOCC4)nccn23)cn1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is TXZWJUACJCVHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-30-11-10-28-15-17(14-25-28)20-19(16-2-4-18(23)5-3-16)26-22-21(24-6-7-29(20)22)27-8-12-31-13-9-27/h2-7,14-15H,8-13H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 438.92 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 155514050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).