6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

C24H25N5O3S — CID 152942999

IUPAC6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)(=O)Cc1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H25N5O3S/c1-33(30,31)17-18-3-2-4-19(15-18)22-16-29-10-9-25-24(29)23(27-22)26-20-5-7-21(8-6-20)28-11-13-32-14-12-28/h2-10,15-16H,11-14,17H2,1H3,(H,26,27)
InChIKeyUNERSAJSUOXSTE-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.52
Rot. Bonds6

About 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 152942999) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID152942999
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)(=O)Cc1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H25N5O3S/c1-33(30,31)17-18-3-2-4-19(15-18)22-16-29-10-9-25-24(29)23(27-22)26-20-5-7-21(8-6-20)28-11-13-32-14-12-28/h2-10,15-16H,11-14,17H2,1H3,(H,26,27)
InChIKeyUNERSAJSUOXSTE-UHFFFAOYSA-N
XLogP3.52
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
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

6-(3-hydrazinylphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 144744402
6-(5-ethyl-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147813694
4-tert-butyl-N-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11541211
1-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3H-indol-2-one
CID 149389474
iodo(propan-2-yloxy)phosphane;1-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propan-1-one
CID 142373478
3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-benzimidazol-2-one
CID 59473289
(3S)-3-hydroxy-3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-inden-2-one
CID 158668845
6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one
CID 153207771
tert-butyl 4-[4-[[6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazine-1-carboxylate
CID 58351712
N-(6-morpholin-4-yl-3-pyridinyl)-6-quinazolin-6-ylimidazo[1,2-a]pyrazin-8-amine
CID 141271386
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 153061267
(3E)-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3-(1,3-thiazol-4-ylmethylidene)-1H-inden-2-one
CID 153030530

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 152942999) is 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is CS(=O)(=O)Cc1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is UNERSAJSUOXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-33(30,31)17-18-3-2-4-19(15-18)22-16-29-10-9-25-24(29)23(27-22)26-20-5-7-21(8-6-20)28-11-13-32-14-12-28/h2-10,15-16H,11-14,17H2,1H3,(H,26,27).
What are the key properties of 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 463.56 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 152942999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).