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

C21H20N6O2S — CID 57400976

IUPAC5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1
InChIInChI=1S/C21H20N6O2S/c22-19(28)18-6-5-17(30-18)16-13-24-20(21-23-7-8-27(16)21)25-14-1-3-15(4-2-14)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H2,22,28)(H,24,25)
InChIKeyKMKCCXCIFFAGLP-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.14
Rot. Bonds5

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

5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide (PubChem CID 57400976) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
PubChem CID57400976
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1
InChIInChI=1S/C21H20N6O2S/c22-19(28)18-6-5-17(30-18)16-13-24-20(21-23-7-8-27(16)21)25-14-1-3-15(4-2-14)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H2,22,28)(H,24,25)
InChIKeyKMKCCXCIFFAGLP-UHFFFAOYSA-N
XLogP3.14
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.14
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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Related Compounds

1-[5-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl]ethanone
CID 24888258
4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 59023121
3-(1-chloropyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143461051
2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid
CID 69494239
4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 59023103
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
2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571818
5-(6-aminopyrazin-2-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 155635343
[5-[8-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl] carbamate
CID 68792133
4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
CID 59023071
3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1-benzothiophene-7-carboxamide
CID 24890644
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117084517

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide (CID 57400976) is 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide is NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1.
What is the InChIKey of 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?
The InChIKey is KMKCCXCIFFAGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c22-19(28)18-6-5-17(30-18)16-13-24-20(21-23-7-8-27(16)21)25-14-1-3-15(4-2-14)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H2,22,28)(H,24,25).
What are the key properties of 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?
5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 57400976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).