N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide

C21H23N5O3 — CID 126471371

IUPACN-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cnc2cnc(-c3ccc(N4CCOCC4)cc3)cn12)C1CCOC1
InChIInChI=1S/C21H23N5O3/c27-21(16-5-8-29-14-16)24-20-12-23-19-11-22-18(13-26(19)20)15-1-3-17(4-2-15)25-6-9-28-10-7-25/h1-4,11-13,16H,5-10,14H2,(H,24,27)
InChIKeyUPSGKZYGLYPXBZ-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.21
Rot. Bonds4

About N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide

N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide (PubChem CID 126471371) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide
PubChem CID126471371
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cnc2cnc(-c3ccc(N4CCOCC4)cc3)cn12)C1CCOC1
InChIInChI=1S/C21H23N5O3/c27-21(16-5-8-29-14-16)24-20-12-23-19-11-22-18(13-26(19)20)15-1-3-17(4-2-15)25-6-9-28-10-7-25/h1-4,11-13,16H,5-10,14H2,(H,24,27)
InChIKeyUPSGKZYGLYPXBZ-UHFFFAOYSA-N
XLogP2.21
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide (CID 126471371) is N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide is O=C(Nc1cnc2cnc(-c3ccc(N4CCOCC4)cc3)cn12)C1CCOC1.
What is the InChIKey of N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide?
The InChIKey is UPSGKZYGLYPXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-21(16-5-8-29-14-16)24-20-12-23-19-11-22-18(13-26(19)20)15-1-3-17(4-2-15)25-6-9-28-10-7-25/h1-4,11-13,16H,5-10,14H2,(H,24,27).
What are the key properties of N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide?
N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 126471371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).