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

C39H42F2N10O2 — CID 171821136

IUPAC3-[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
SMILESCc1cc(-c2cnc(Nc3cnn(C4CCN(CCN5CC6(C5)CN(c5ccc(C7CCC(=O)NC7=O)cc5)C6)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C39H42F2N10O2/c1-25-16-31(33(41)17-32(25)40)34-19-43-36(37-42-10-13-50(34)37)45-27-18-44-51(20-27)29-8-11-47(12-9-29)14-15-48-21-39(22-48)23-49(24-39)28-4-2-26(3-5-28)30-6-7-35(52)46-38(30)53/h2-5,10,13,16-20,29-30H,6-9,11-12,14-15,21-24H2,1H3,(H,43,45)(H,46,52,53)
InChIKeyJALBDKBRUMYYBE-UHFFFAOYSA-N
MW720.83 g/mol
LogP4.90
Rot. Bonds9

About 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

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 (PubChem CID 171821136) has the molecular formula C39H42F2N10O2 and a molecular weight of 720.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID171821136
Molecular FormulaC39H42F2N10O2
Molecular Weight720.83 g/mol
Exact Mass720.35
IUPAC Name3-[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
SMILESCc1cc(-c2cnc(Nc3cnn(C4CCN(CCN5CC6(C5)CN(c5ccc(C7CCC(=O)NC7=O)cc5)C6)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C39H42F2N10O2/c1-25-16-31(33(41)17-32(25)40)34-19-43-36(37-42-10-13-50(34)37)45-27-18-44-51(20-27)29-8-11-47(12-9-29)14-15-48-21-39(22-48)23-49(24-39)28-4-2-26(3-5-28)30-6-7-35(52)46-38(30)53/h2-5,10,13,16-20,29-30H,6-9,11-12,14-15,21-24H2,1H3,(H,43,45)(H,46,52,53)
InChIKeyJALBDKBRUMYYBE-UHFFFAOYSA-N
XLogP4.90
TPSA115.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.83
LogP ≤ 54.90
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'}

Analyze 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 with MolForge

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Related Compounds

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-[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-[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
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
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-[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
2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol
CID 171820782
5-(2,4-difluoro-5-methylphenyl)-N-[1-[(3R,4S)-3-fluoropiperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
CID 171821097
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
3-[4-[6-[[1-[4-[[1-(7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 171098617

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cnc(Nc3cnn(C4CCN(CCN5CC6(C5)CN(c5ccc(C7CCC(=O)NC7=O)cc5)C6)CC4)c3)c3nccn23)c(F)cc1F.
What is the InChIKey of 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?
The InChIKey is JALBDKBRUMYYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42F2N10O2/c1-25-16-31(33(41)17-32(25)40)34-19-43-36(37-42-10-13-50(34)37)45-27-18-44-51(20-27)29-8-11-47(12-9-29)14-15-48-21-39(22-48)23-49(24-39)28-4-2-26(3-5-28)30-6-7-35(52)46-38(30)53/h2-5,10,13,16-20,29-30H,6-9,11-12,14-15,21-24H2,1H3,(H,43,45)(H,46,52,53).
What are the key properties of 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?
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 has a molecular weight of 720.83 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171821136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).