7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C18H22N4O3 — CID 131643046

IUPAC7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2nc(C(=O)N(C)C)cn2CCN1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H22N4O3/c1-12-17-19-14(18(23)20(2)3)10-22(17)7-6-21(12)9-13-4-5-15-16(8-13)25-11-24-15/h4-5,8,10,12H,6-7,9,11H2,1-3H3
InChIKeyIYTKCUVNTFFNET-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.89
Rot. Bonds3

About 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 131643046) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID131643046
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2nc(C(=O)N(C)C)cn2CCN1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H22N4O3/c1-12-17-19-14(18(23)20(2)3)10-22(17)7-6-21(12)9-13-4-5-15-16(8-13)25-11-24-15/h4-5,8,10,12H,6-7,9,11H2,1-3H3
InChIKeyIYTKCUVNTFFNET-UHFFFAOYSA-N
XLogP1.89
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 131648469
N,N,8-trimethyl-7-(2-methylcyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131694213
methyl (2S)-1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carboxylate
CID 139239851
8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131661103
(8S)-8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124809087
2-[4-(1,3-benzodioxol-5-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-N,N-dimethylethanamine
CID 118752966
methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]acetate
CID 62028859
8-methyl-N,7-bis(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 133142132
N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53167909
2-[1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazol-4-yl]acetic acid
CID 82306770
2-[[(3R,3aR,6aS)-1-(1,3-benzodioxol-5-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide
CID 97459544
1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine
CID 97467296

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 131643046) is 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CC1c2nc(C(=O)N(C)C)cn2CCN1Cc1ccc2c(c1)OCO2.
What is the InChIKey of 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IYTKCUVNTFFNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-17-19-14(18(23)20(2)3)10-22(17)7-6-21(12)9-13-4-5-15-16(8-13)25-11-24-15/h4-5,8,10,12H,6-7,9,11H2,1-3H3.
What are the key properties of 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 131643046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).