2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine

C21H24N4O2 — CID 95802757

IUPAC2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine
SMILESC[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NC1CCCC1
InChIInChI=1S/C21H24N4O2/c1-14(10-15-6-7-17-18(11-15)27-13-26-17)20-21(23-16-4-2-3-5-16)25-9-8-22-12-19(25)24-20/h6-9,11-12,14,16,23H,2-5,10,13H2,1H3/t14-/m1/s1
InChIKeyGALOKXUERUKTRR-CQSZACIVSA-N
MW364.45 g/mol
LogP4.16
Rot. Bonds5

About 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine

2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine (PubChem CID 95802757) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine
PubChem CID95802757
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine
SMILESC[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NC1CCCC1
InChIInChI=1S/C21H24N4O2/c1-14(10-15-6-7-17-18(11-15)27-13-26-17)20-21(23-16-4-2-3-5-16)25-9-8-22-12-19(25)24-20/h6-9,11-12,14,16,23H,2-5,10,13H2,1H3/t14-/m1/s1
InChIKeyGALOKXUERUKTRR-CQSZACIVSA-N
XLogP4.16
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine
CID 170759950
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine
CID 16667935
3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine
CID 56751275
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
CID 166443374
4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
CID 135674297
4-bromo-3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 155179314
N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide
CID 53039656
2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 42738420
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole
CID 95205234
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
CID 43767433
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclohexyl-1,2,4-triazin-5-amine
CID 112942238

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine (CID 95802757) is 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine is C[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NC1CCCC1.
What is the InChIKey of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is GALOKXUERUKTRR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(10-15-6-7-17-18(11-15)27-13-26-17)20-21(23-16-4-2-3-5-16)25-9-8-22-12-19(25)24-20/h6-9,11-12,14,16,23H,2-5,10,13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine?
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 364.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 95802757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).