4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine

C20H21ClN4O — CID 121309761

IUPAC4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
SMILESC=C(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1
InChIInChI=1S/C20H21ClN4O/c1-14(2)17-12-25-18(13-24-7-9-26-10-8-24)20(23-19(25)11-22-17)15-3-5-16(21)6-4-15/h3-6,11-12H,1,7-10,13H2,2H3
InChIKeyMXOQUVLAYXDMLE-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.91
Rot. Bonds4

About 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine

4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine (PubChem CID 121309761) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
PubChem CID121309761
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
SMILESC=C(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1
InChIInChI=1S/C20H21ClN4O/c1-14(2)17-12-25-18(13-24-7-9-26-10-8-24)20(23-19(25)11-22-17)15-3-5-16(21)6-4-15/h3-6,11-12H,1,7-10,13H2,2H3
InChIKeyMXOQUVLAYXDMLE-UHFFFAOYSA-N
XLogP3.91
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine (CID 121309761) is 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine is C=C(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
The InChIKey is MXOQUVLAYXDMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-14(2)17-12-25-18(13-24-7-9-26-10-8-24)20(23-19(25)11-22-17)15-3-5-16(21)6-4-15/h3-6,11-12H,1,7-10,13H2,2H3.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine has a molecular weight of 368.87 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-6-prop-1-en-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine is sourced from PubChem (CID 121309761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).