3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one

C20H23N5O2 — CID 53039750

IUPAC3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N5O2/c1-15-2-4-16(5-3-15)19-20(25-9-8-21-14-17(25)23-19)22-7-6-18(26)24-10-12-27-13-11-24/h2-5,8-9,14,22H,6-7,10-13H2,1H3
InChIKeyVRVRIGHYNMTMOJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.37
Rot. Bonds5

About 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one

3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 53039750) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID53039750
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N5O2/c1-15-2-4-16(5-3-15)19-20(25-9-8-21-14-17(25)23-19)22-7-6-18(26)24-10-12-27-13-11-24/h2-5,8-9,14,22H,6-7,10-13H2,1H3
InChIKeyVRVRIGHYNMTMOJ-UHFFFAOYSA-N
XLogP2.37
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one (CID 53039750) is 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one is Cc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is VRVRIGHYNMTMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-2-4-16(5-3-15)19-20(25-9-8-21-14-17(25)23-19)22-7-6-18(26)24-10-12-27-13-11-24/h2-5,8-9,14,22H,6-7,10-13H2,1H3.
What are the key properties of 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one?
3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 365.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 53039750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).