4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide

C21H20N6O3 — CID 57395763

IUPAC4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide
SMILESNC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)co1
InChIInChI=1S/C21H20N6O3/c22-19(28)18-11-14(13-30-18)17-12-24-20(21-23-5-6-27(17)21)25-15-1-3-16(4-2-15)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H2,22,28)(H,24,25)
InChIKeyJRHQKCWEMQJDGE-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.67
Rot. Bonds5

About 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide

4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide (PubChem CID 57395763) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide
PubChem CID57395763
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide
SMILESNC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)co1
InChIInChI=1S/C21H20N6O3/c22-19(28)18-11-14(13-30-18)17-12-24-20(21-23-5-6-27(17)21)25-15-1-3-16(4-2-15)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H2,22,28)(H,24,25)
InChIKeyJRHQKCWEMQJDGE-UHFFFAOYSA-N
XLogP2.67
TPSA110.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide?
The IUPAC name of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide (CID 57395763) is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide.
What is the SMILES notation for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide?
The canonical SMILES for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide is NC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)co1.
What is the InChIKey of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide?
The InChIKey is JRHQKCWEMQJDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c22-19(28)18-11-14(13-30-18)17-12-24-20(21-23-5-6-27(17)21)25-15-1-3-16(4-2-15)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H2,22,28)(H,24,25).
What are the key properties of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide?
4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 57395763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).