[7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C20H24N4O3 — CID 131648469

IUPAC[7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC1c2nc(C(=O)N3CCCC3)cn2CCN1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H24N4O3/c1-14-19-21-16(20(25)22-6-2-3-7-22)12-24(19)9-8-23(14)11-15-4-5-17-18(10-15)27-13-26-17/h4-5,10,12,14H,2-3,6-9,11,13H2,1H3
InChIKeyNSQRJEPTZZZMLB-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.42
Rot. Bonds3

About [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131648469) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID131648469
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC1c2nc(C(=O)N3CCCC3)cn2CCN1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H24N4O3/c1-14-19-21-16(20(25)22-6-2-3-7-22)12-24(19)9-8-23(14)11-15-4-5-17-18(10-15)27-13-26-17/h4-5,10,12,14H,2-3,6-9,11,13H2,1H3
InChIKeyNSQRJEPTZZZMLB-UHFFFAOYSA-N
XLogP2.42
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

7-(1,3-benzodioxol-5-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131643046
azepan-1-yl-[6-(1,3-benzodioxol-5-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109370505
[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
CID 138810126
3-(1,3-benzodioxol-5-ylmethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 121027363
(3,3-difluoroazetidin-1-yl)-[8-methyl-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
CID 133142251
[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51635462
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109360826
methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]acetate
CID 62028859
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249928
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 2738509
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 163328033

Frequently Asked Questions

What is the IUPAC name of [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 131648469) is [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is CC1c2nc(C(=O)N3CCCC3)cn2CCN1Cc1ccc2c(c1)OCO2.
What is the InChIKey of [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NSQRJEPTZZZMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-19-21-16(20(25)22-6-2-3-7-22)12-24(19)9-8-23(14)11-15-4-5-17-18(10-15)27-13-26-17/h4-5,10,12,14H,2-3,6-9,11,13H2,1H3.
What are the key properties of [7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 368.44 g/mol, XLogP of 2.42, 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)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131648469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).