imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone

C21H22N4O — CID 97220862

IUPACimidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1nccn2ccnc12)N1CCC[C@@H]1[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H22N4O/c26-21(19-20-23-11-14-24(20)13-10-22-19)25-12-4-9-18(25)17-8-3-6-15-5-1-2-7-16(15)17/h1-2,5,7,10-11,13-14,17-18H,3-4,6,8-9,12H2/t17-,18+/m0/s1
InChIKeyUOPWREWXQPKDOH-ZWKOTPCHSA-N
MW346.43 g/mol
LogP3.45
Rot. Bonds2

About imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone

imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone (PubChem CID 97220862) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone
PubChem CID97220862
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Nameimidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1nccn2ccnc12)N1CCC[C@@H]1[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H22N4O/c26-21(19-20-23-11-14-24(20)13-10-22-19)25-12-4-9-18(25)17-8-3-6-15-5-1-2-7-16(15)17/h1-2,5,7,10-11,13-14,17-18H,3-4,6,8-9,12H2/t17-,18+/m0/s1
InChIKeyUOPWREWXQPKDOH-ZWKOTPCHSA-N
XLogP3.45
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 67224096
2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 86813621
[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone
CID 67223182
2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl-(4-aminophenyl)methanone
CID 67224597
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(4-aminophenyl)methanone
CID 67224595
N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 71923230
[(4aS,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-benzimidazol-5-yl)methanone
CID 52933602
[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3,5-dichloro-4-hydroxyphenyl)methanone
CID 86654134
[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
CID 86654097
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2H-benzotriazol-5-yl)methanone
CID 67969110
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2-methyl-1H-inden-5-yl)methanone
CID 58294419
2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one
CID 84595125

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone (CID 97220862) is imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone is O=C(c1nccn2ccnc12)N1CCC[C@@H]1[C@H]1CCCc2ccccc21.
What is the InChIKey of imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone?
The InChIKey is UOPWREWXQPKDOH-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(19-20-23-11-14-24(20)13-10-22-19)25-12-4-9-18(25)17-8-3-6-15-5-1-2-7-16(15)17/h1-2,5,7,10-11,13-14,17-18H,3-4,6,8-9,12H2/t17-,18+/m0/s1.
What are the key properties of imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone?
imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97220862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).