3-[3-chloro-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]phenyl]piperidine-2,6-dione

C38H41ClF2N10O2 — CID 171820776

IUPAC3-[3-chloro-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]phenyl]piperidine-2,6-dione
SMILESCc1cc(-c2cnc(Nc3cnn(C4CCN(CCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6Cl)CC5)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C38H41ClF2N10O2/c1-24-18-29(32(41)20-31(24)40)34-22-43-36(37-42-8-11-50(34)37)45-26-21-44-51(23-26)27-6-9-47(10-7-27)12-13-48-14-16-49(17-15-48)33-4-2-25(19-30(33)39)28-3-5-35(52)46-38(28)53/h2,4,8,11,18-23,27-28H,3,5-7,9-10,12-17H2,1H3,(H,43,45)(H,46,52,53)
InChIKeyPUUIGXTXLPIQCM-UHFFFAOYSA-N
MW743.26 g/mol
LogP5.56
Rot. Bonds9

About 3-[3-chloro-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]phenyl]piperidine-2,6-dione

3-[3-chloro-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]phenyl]piperidine-2,6-dione (PubChem CID 171820776) has the molecular formula C38H41ClF2N10O2 and a molecular weight of 743.26 g/mol. Its IUPAC name is 3-[3-chloro-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]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-chloro-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]phenyl]piperidine-2,6-dione
PubChem CID171820776
Molecular FormulaC38H41ClF2N10O2
Molecular Weight743.26 g/mol
Exact Mass742.31
IUPAC Name3-[3-chloro-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]phenyl]piperidine-2,6-dione
SMILESCc1cc(-c2cnc(Nc3cnn(C4CCN(CCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6Cl)CC5)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C38H41ClF2N10O2/c1-24-18-29(32(41)20-31(24)40)34-22-43-36(37-42-8-11-50(34)37)45-26-21-44-51(23-26)27-6-9-47(10-7-27)12-13-48-14-16-49(17-15-48)33-4-2-25(19-30(33)39)28-3-5-35(52)46-38(28)53/h2,4,8,11,18-23,27-28H,3,5-7,9-10,12-17H2,1H3,(H,43,45)(H,46,52,53)
InChIKeyPUUIGXTXLPIQCM-UHFFFAOYSA-N
XLogP5.56
TPSA115.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500743.26
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-[3-chloro-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]phenyl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-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]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-chloro-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]phenyl]piperidine-2,6-dione (CID 171820776) is 3-[3-chloro-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]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-chloro-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]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-chloro-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]phenyl]piperidine-2,6-dione is Cc1cc(-c2cnc(Nc3cnn(C4CCN(CCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6Cl)CC5)CC4)c3)c3nccn23)c(F)cc1F.
What is the InChIKey of 3-[3-chloro-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]phenyl]piperidine-2,6-dione?
The InChIKey is PUUIGXTXLPIQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41ClF2N10O2/c1-24-18-29(32(41)20-31(24)40)34-22-43-36(37-42-8-11-50(34)37)45-26-21-44-51(23-26)27-6-9-47(10-7-27)12-13-48-14-16-49(17-15-48)33-4-2-25(19-30(33)39)28-3-5-35(52)46-38(28)53/h2,4,8,11,18-23,27-28H,3,5-7,9-10,12-17H2,1H3,(H,43,45)(H,46,52,53).
What are the key properties of 3-[3-chloro-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]phenyl]piperidine-2,6-dione?
3-[3-chloro-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]phenyl]piperidine-2,6-dione has a molecular weight of 743.26 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-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]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171820776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).