7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C17H18N4O5 — CID 95230943

IUPAC7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCn2c(C(N)=O)cnc2C1
InChIInChI=1S/C17H18N4O5/c1-10(26-11-2-3-13-14(6-11)25-9-24-13)17(23)20-4-5-21-12(16(18)22)7-19-15(21)8-20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,18,22)/t10-/m0/s1
InChIKeyRZDNZEODGBURHR-JTQLQIEISA-N
MW358.35 g/mol
LogP0.52
Rot. Bonds4

About 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 95230943) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID95230943
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCn2c(C(N)=O)cnc2C1
InChIInChI=1S/C17H18N4O5/c1-10(26-11-2-3-13-14(6-11)25-9-24-13)17(23)20-4-5-21-12(16(18)22)7-19-15(21)8-20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,18,22)/t10-/m0/s1
InChIKeyRZDNZEODGBURHR-JTQLQIEISA-N
XLogP0.52
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45147871
2-(1,3-benzodioxol-5-yloxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 86287320
(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 39854933
2-(1,3-benzodioxol-5-yloxy)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one
CID 126855196
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
1,3-benzodioxol-5-yl (2R)-2-phenoxypropanoate
CID 8766447
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 43818915
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826
2-(1,3-benzodioxol-5-yloxy)-1-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]propan-1-one
CID 126855344
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 133265374
N-[[3-methyl-7-[(2R)-2-phenoxypropanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42171867

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 95230943) is 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCn2c(C(N)=O)cnc2C1.
What is the InChIKey of 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is RZDNZEODGBURHR-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18N4O5/c1-10(26-11-2-3-13-14(6-11)25-9-24-13)17(23)20-4-5-21-12(16(18)22)7-19-15(21)8-20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,18,22)/t10-/m0/s1.
What are the key properties of 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 95230943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).