1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

C24H27N5O4 — CID 110145337

IUPAC1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccc(C(=O)N2C[C@@H](Cc3cn4ccnc4cn3)[C@@H](O)C2)c1
InChIInChI=1S/C24H27N5O4/c30-21-16-29(14-18(21)11-19-15-28-8-6-25-22(28)13-26-19)24(32)17-3-1-4-20(12-17)33-10-9-27-7-2-5-23(27)31/h1,3-4,6,8,12-13,15,18,21,30H,2,5,7,9-11,14,16H2/t18-,21+/m1/s1
InChIKeyLNJSOPUFHFTOHA-NQIIRXRSSA-N
MW449.51 g/mol
LogP1.41
Rot. Bonds7

About 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 110145337) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID110145337
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccc(C(=O)N2C[C@@H](Cc3cn4ccnc4cn3)[C@@H](O)C2)c1
InChIInChI=1S/C24H27N5O4/c30-21-16-29(14-18(21)11-19-15-28-8-6-25-22(28)13-26-19)24(32)17-3-1-4-20(12-17)33-10-9-27-7-2-5-23(27)31/h1,3-4,6,8,12-13,15,18,21,30H,2,5,7,9-11,14,16H2/t18-,21+/m1/s1
InChIKeyLNJSOPUFHFTOHA-NQIIRXRSSA-N
XLogP1.41
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3-aminopropoxy)phenyl]-[(3S,4S)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110145311
1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110138756
1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773007
1-[2-[3-[4-(quinolin-4-ylmethyl)azepane-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110150268
1-[2-[3-[4-(quinolin-6-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458822
1-[2-[3-[(4S)-4-(isoquinolin-4-ylmethyl)azepane-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129454058
[3-[(4-fluorophenyl)methoxy]phenyl]-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 129454262
(3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125003814
N-(1-methylcyclobutyl)-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 46969344
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
1-[2-[3-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110151535

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (CID 110145337) is 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1cccc(C(=O)N2C[C@@H](Cc3cn4ccnc4cn3)[C@@H](O)C2)c1.
What is the InChIKey of 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is LNJSOPUFHFTOHA-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H27N5O4/c30-21-16-29(14-18(21)11-19-15-28-8-6-25-22(28)13-26-19)24(32)17-3-1-4-20(12-17)33-10-9-27-7-2-5-23(27)31/h1,3-4,6,8,12-13,15,18,21,30H,2,5,7,9-11,14,16H2/t18-,21+/m1/s1.
What are the key properties of 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 449.51 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 110145337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).