2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

C24H24F2N4O2 — CID 137402199

IUPAC2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
SMILESO=C(CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1)N1CCn2ccnc2C1
InChIInChI=1S/C24H24F2N4O2/c25-17-10-19(24(20(26)11-17)32-15-16-4-2-1-3-5-16)18-12-21(18)28-13-23(31)30-9-8-29-7-6-27-22(29)14-30/h1-7,10-11,18,21,28H,8-9,12-15H2
InChIKeyITUZJIOGQWEHOK-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.23
Rot. Bonds7

About 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone (PubChem CID 137402199) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
PubChem CID137402199
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
SMILESO=C(CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1)N1CCn2ccnc2C1
InChIInChI=1S/C24H24F2N4O2/c25-17-10-19(24(20(26)11-17)32-15-16-4-2-1-3-5-16)18-12-21(18)28-13-23(31)30-9-8-29-7-6-27-22(29)14-30/h1-7,10-11,18,21,28H,8-9,12-15H2
InChIKeyITUZJIOGQWEHOK-UHFFFAOYSA-N
XLogP3.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone
CID 137401925
2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 162611121
2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 142514214
1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone
CID 154972366
2-(cyclopentylamino)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025397
N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
CID 137401937
2-[[(1S,2R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67449223
1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one
CID 162163799
N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine
CID 142514182
trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)-N-(1H-indol-7-ylmethyl)cyclopropan-1-amine;hydrochloride
CID 142514226
1-(4-ethylpiperazin-1-yl)-2-[(2-phenylcyclopropyl)amino]ethanone
CID 66978917
2-(3-chlorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 110712676

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone (CID 137402199) is 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone is O=C(CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1)N1CCn2ccnc2C1.
What is the InChIKey of 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The InChIKey is ITUZJIOGQWEHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c25-17-10-19(24(20(26)11-17)32-15-16-4-2-1-3-5-16)18-12-21(18)28-13-23(31)30-9-8-29-7-6-27-22(29)14-30/h1-7,10-11,18,21,28H,8-9,12-15H2.
What are the key properties of 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone has a molecular weight of 438.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 137402199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).