3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione

C24H21ClN4O3 — CID 171846772

IUPAC3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(CN4CCn5ccnc5C4=O)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C24H21ClN4O3/c25-21-17(2-1-3-18(21)19-8-9-20(30)27-23(19)31)16-6-4-15(5-7-16)14-29-13-12-28-11-10-26-22(28)24(29)32/h1-7,10-11,19H,8-9,12-14H2,(H,27,30,31)
InChIKeyXNPUFPXYQVMIAG-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.38
Rot. Bonds4

About 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione (PubChem CID 171846772) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
PubChem CID171846772
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC Name3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(CN4CCn5ccnc5C4=O)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C24H21ClN4O3/c25-21-17(2-1-3-18(21)19-8-9-20(30)27-23(19)31)16-6-4-15(5-7-16)14-29-13-12-28-11-10-26-22(28)24(29)32/h1-7,10-11,19H,8-9,12-14H2,(H,27,30,31)
InChIKeyXNPUFPXYQVMIAG-UHFFFAOYSA-N
XLogP3.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846090
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
3-[2-chloro-3-[4-[(2,2-dimethyl-5-oxomorpholin-4-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846416
3-[2-chloro-3-[4-[(3-methyloxetan-3-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846725
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171845879
3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171846709
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione
CID 171845963
3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione
CID 171846214
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide
CID 171845915

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione (CID 171846772) is 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(-c3ccc(CN4CCn5ccnc5C4=O)cc3)c2Cl)C(=O)N1.
What is the InChIKey of 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione?
The InChIKey is XNPUFPXYQVMIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c25-21-17(2-1-3-18(21)19-8-9-20(30)27-23(19)31)16-6-4-15(5-7-16)14-29-13-12-28-11-10-26-22(28)24(29)32/h1-7,10-11,19H,8-9,12-14H2,(H,27,30,31).
What are the key properties of 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 448.91 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171846772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).