2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone

C28H29F3N6O6S — CID 123505234

IUPAC2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)CNc3c(-c4ccc(OS(F)(F)F)cc4)nc4cnccn34)CC2)cc(OC)c1OC
InChIInChI=1S/C28H29F3N6O6S/c1-40-21-14-19(15-22(41-2)26(21)42-3)28(39)36-12-10-35(11-13-36)24(38)17-33-27-25(34-23-16-32-8-9-37(23)27)18-4-6-20(7-5-18)43-44(29,30)31/h4-9,14-16,33H,10-13,17H2,1-3H3
InChIKeyGOMDQENXRAEUSO-UHFFFAOYSA-N
MW634.64 g/mol
LogP4.57
Rot. Bonds10

About 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone

2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 123505234) has the molecular formula C28H29F3N6O6S and a molecular weight of 634.64 g/mol. Its IUPAC name is 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID123505234
Molecular FormulaC28H29F3N6O6S
Molecular Weight634.64 g/mol
Exact Mass634.18
IUPAC Name2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)CNc3c(-c4ccc(OS(F)(F)F)cc4)nc4cnccn34)CC2)cc(OC)c1OC
InChIInChI=1S/C28H29F3N6O6S/c1-40-21-14-19(15-22(41-2)26(21)42-3)28(39)36-12-10-35(11-13-36)24(38)17-33-27-25(34-23-16-32-8-9-37(23)27)18-4-6-20(7-5-18)43-44(29,30)31/h4-9,14-16,33H,10-13,17H2,1-3H3
InChIKeyGOMDQENXRAEUSO-UHFFFAOYSA-N
XLogP4.57
TPSA119.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.64
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 53039915
2-(4-methoxyphenoxy)-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone
CID 2877882
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 53207752
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276
4,6-dimethyl-6-[4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetyl]piperazin-1-yl]cyclohex-2-ene-1-carbonitrile
CID 123923899
3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 53039750
3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 53039983
tert-butyl N-[2-oxo-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]carbamate
CID 108532803
3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide
CID 53039769
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 44782803

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone (CID 123505234) is 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone is COc1cc(C(=O)N2CCN(C(=O)CNc3c(-c4ccc(OS(F)(F)F)cc4)nc4cnccn34)CC2)cc(OC)c1OC.
What is the InChIKey of 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is GOMDQENXRAEUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O6S/c1-40-21-14-19(15-22(41-2)26(21)42-3)28(39)36-12-10-35(11-13-36)24(38)17-33-27-25(34-23-16-32-8-9-37(23)27)18-4-6-20(7-5-18)43-44(29,30)31/h4-9,14-16,33H,10-13,17H2,1-3H3.
What are the key properties of 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone?
2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 634.64 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(trifluoro-λ4-sulfanyl)oxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 123505234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).