4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide

C25H26N6O2 — CID 59023071

IUPAC4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
SMILESCCc1cnc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3ccc(C(N)=O)cc3)n12
InChIInChI=1S/C25H26N6O2/c1-2-20-15-28-25-24(29-19-7-9-21(10-8-19)30-11-13-33-14-12-30)27-16-22(31(20)25)17-3-5-18(6-4-17)23(26)32/h3-10,15-16H,2,11-14H2,1H3,(H2,26,32)(H,27,29)
InChIKeyIBJYUKNZJAVWPR-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.64
Rot. Bonds6

About 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide

4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide (PubChem CID 59023071) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide.

Molecular Properties

Compound Name4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
PubChem CID59023071
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
SMILESCCc1cnc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3ccc(C(N)=O)cc3)n12
InChIInChI=1S/C25H26N6O2/c1-2-20-15-28-25-24(29-19-7-9-21(10-8-19)30-11-13-33-14-12-30)27-16-22(31(20)25)17-3-5-18(6-4-17)23(26)32/h3-10,15-16H,2,11-14H2,1H3,(H2,26,32)(H,27,29)
InChIKeyIBJYUKNZJAVWPR-UHFFFAOYSA-N
XLogP3.64
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
CID 24947567
4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
5-chloro-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
CID 158630009
5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 57400976
1-[5-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl]ethanone
CID 24888258
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-morpholin-4-ylphenyl)urea
CID 69058929
3-(1-chloropyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143461051
3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1-benzothiophene-7-carboxamide
CID 24890644
4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide
CID 143585647
4-[4-(4-methylpiperazin-1-yl)anilino]-2-[4-(morpholine-4-carbonyl)anilino]pyrimidine-5-carboxamide
CID 177309965
4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide
CID 59023095
N-[2-(dimethylamino)ethyl]-4-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
CID 66711045

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide?
The IUPAC name of 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide (CID 59023071) is 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide.
What is the SMILES notation for 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide?
The canonical SMILES for 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide is CCc1cnc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3ccc(C(N)=O)cc3)n12.
What is the InChIKey of 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide?
The InChIKey is IBJYUKNZJAVWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-2-20-15-28-25-24(29-19-7-9-21(10-8-19)30-11-13-33-14-12-30)27-16-22(31(20)25)17-3-5-18(6-4-17)23(26)32/h3-10,15-16H,2,11-14H2,1H3,(H2,26,32)(H,27,29).
What are the key properties of 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide?
4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide is sourced from PubChem (CID 59023071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).