[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate

C40H34ClF2N11O4 — CID 159653925

IUPAC[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(Cl)c(-c3cccc(F)c3)nc(N)c2n1.Cn1cnc2ccc(-c3c(-c4cccc(F)c4)nc(N)c4nc(C(=O)N5CCOCC5)cn34)cc21
InChIInChI=1S/C25H22FN7O2.C15H12ClFN4O2/c1-31-14-28-18-6-5-16(12-20(18)31)22-21(15-3-2-4-17(26)11-15)30-23(27)24-29-19(13-33(22)24)25(34)32-7-9-35-10-8-32;1-2-23-15(22)10-7-21-12(16)11(20-13(18)14(21)19-10)8-4-3-5-9(17)6-8/h2-6,11-14H,7-10H2,1H3,(H2,27,30);3-7H,2H2,1H3,(H2,18,20)
InChIKeyMRXWRRHKUZPXGM-UHFFFAOYSA-N
MW806.23 g/mol
LogP6.09
Rot. Bonds6

About [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate

[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 159653925) has the molecular formula C40H34ClF2N11O4 and a molecular weight of 806.23 g/mol. Its IUPAC name is [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Name[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID159653925
Molecular FormulaC40H34ClF2N11O4
Molecular Weight806.23 g/mol
Exact Mass805.25
IUPAC Name[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(Cl)c(-c3cccc(F)c3)nc(N)c2n1.Cn1cnc2ccc(-c3c(-c4cccc(F)c4)nc(N)c4nc(C(=O)N5CCOCC5)cn34)cc21
InChIInChI=1S/C25H22FN7O2.C15H12ClFN4O2/c1-31-14-28-18-6-5-16(12-20(18)31)22-21(15-3-2-4-17(26)11-15)30-23(27)24-29-19(13-33(22)24)25(34)32-7-9-35-10-8-32;1-2-23-15(22)10-7-21-12(16)11(20-13(18)14(21)19-10)8-4-3-5-9(17)6-8/h2-6,11-14H,7-10H2,1H3,(H2,27,30);3-7H,2H2,1H3,(H2,18,20)
InChIKeyMRXWRRHKUZPXGM-UHFFFAOYSA-N
XLogP6.09
TPSA186.08 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500806.23
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 137372379
ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
CID 137372681
8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 151391110
[4-amino-6-(3-chlorophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 69192466
8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 137372419
[4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 91590495
8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 152705743
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 46471000
ethyl 5-[4-[4-(5-chloro-1-methylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 46093418
ethyl 5-[4-[4-(2,6-dichloropyridine-4-carbonyl)piperazin-1-yl]phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 46093332
8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 151528995
[8-chloro-2,3-bis(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 24743219

Frequently Asked Questions

What is the IUPAC name of [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate (CID 159653925) is [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2c(Cl)c(-c3cccc(F)c3)nc(N)c2n1.Cn1cnc2ccc(-c3c(-c4cccc(F)c4)nc(N)c4nc(C(=O)N5CCOCC5)cn34)cc21.
What is the InChIKey of [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is MRXWRRHKUZPXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2.C15H12ClFN4O2/c1-31-14-28-18-6-5-16(12-20(18)31)22-21(15-3-2-4-17(26)11-15)30-23(27)24-29-19(13-33(22)24)25(34)32-7-9-35-10-8-32;1-2-23-15(22)10-7-21-12(16)11(20-13(18)14(21)19-10)8-4-3-5-9(17)6-8/h2-6,11-14H,7-10H2,1H3,(H2,27,30);3-7H,2H2,1H3,(H2,18,20).
What are the key properties of [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate?
[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 806.23 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 159653925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).