4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine

C18H23N5O2 — CID 53380289

IUPAC4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCn1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)c1
InChIInChI=1S/C18H23N5O2/c1-14-16(15-3-5-21(13-15)7-10-24-2)23-6-4-19-17(18(23)20-14)22-8-11-25-12-9-22/h3-6,13H,7-12H2,1-2H3
InChIKeySWJKHBJVAYGKOM-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.99
Rot. Bonds5

About 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine

4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 53380289) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID53380289
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCn1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)c1
InChIInChI=1S/C18H23N5O2/c1-14-16(15-3-5-21(13-15)7-10-24-2)23-6-4-19-17(18(23)20-14)22-8-11-25-12-9-22/h3-6,13H,7-12H2,1-2H3
InChIKeySWJKHBJVAYGKOM-UHFFFAOYSA-N
XLogP1.99
TPSA56.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine (CID 53380289) is 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine is COCCn1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)c1.
What is the InChIKey of 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is SWJKHBJVAYGKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-16(15-3-5-21(13-15)7-10-24-2)23-6-4-19-17(18(23)20-14)22-8-11-25-12-9-22/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 341.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 53380289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).