3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione

C37H42N10O2 — CID 171821063

IUPAC3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCN(CCN4CCC(n5cc(Nc6ncc(-c7ccccc7)n7ccnc67)cn5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C37H42N10O2/c48-34-11-10-32(37(49)42-34)27-6-8-30(9-7-27)45-22-20-44(21-23-45)19-18-43-15-12-31(13-16-43)47-26-29(24-40-47)41-35-36-38-14-17-46(36)33(25-39-35)28-4-2-1-3-5-28/h1-9,14,17,24-26,31-32H,10-13,15-16,18-23H2,(H,39,41)(H,42,48,49)
InChIKeyLVKZMYHVZDUFRU-UHFFFAOYSA-N
MW658.81 g/mol
LogP4.32
Rot. Bonds9

About 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione

3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 171821063) has the molecular formula C37H42N10O2 and a molecular weight of 658.81 g/mol. Its IUPAC name is 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID171821063
Molecular FormulaC37H42N10O2
Molecular Weight658.81 g/mol
Exact Mass658.35
IUPAC Name3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCN(CCN4CCC(n5cc(Nc6ncc(-c7ccccc7)n7ccnc67)cn5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C37H42N10O2/c48-34-11-10-32(37(49)42-34)27-6-8-30(9-7-27)45-22-20-44(21-23-45)19-18-43-15-12-31(13-16-43)47-26-29(24-40-47)41-35-36-38-14-17-46(36)33(25-39-35)28-4-2-1-3-5-28/h1-9,14,17,24-26,31-32H,10-13,15-16,18-23H2,(H,39,41)(H,42,48,49)
InChIKeyLVKZMYHVZDUFRU-UHFFFAOYSA-N
XLogP4.32
TPSA115.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.81
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-[2-[4-[4-[(5-ethylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 171820770
3-[4-[4-[2-[(4R)-4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]azepan-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 171821139
3-[4-[6-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 171821136
3-[4-[4-[2-[3-[4-[[5-(4,6-difluoro-3-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 171821054
3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione
CID 171821051
3-[4-[1-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexyl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione
CID 171821001
3-[6-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexyl]ethyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 171820773
tert-butyl 2-[[1-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 177363305
tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 171821154
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
5-(3-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 172587016
2-[4-(5-phenylimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]ethanol
CID 126473750

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione (CID 171821063) is 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(N3CCN(CCN4CCC(n5cc(Nc6ncc(-c7ccccc7)n7ccnc67)cn5)CC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is LVKZMYHVZDUFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N10O2/c48-34-11-10-32(37(49)42-34)27-6-8-30(9-7-27)45-22-20-44(21-23-45)19-18-43-15-12-31(13-16-43)47-26-29(24-40-47)41-35-36-38-14-17-46(36)33(25-39-35)28-4-2-1-3-5-28/h1-9,14,17,24-26,31-32H,10-13,15-16,18-23H2,(H,39,41)(H,42,48,49).
What are the key properties of 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 658.81 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-[4-[4-[(5-phenylimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171821063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).