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

C39H44F2N10O2 — CID 171821139

IUPAC3-[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
SMILESCc1cc(-c2cnc(Nc3cnn([C@@H]4CCCN(CCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C39H44F2N10O2/c1-26-21-32(34(41)22-33(26)40)35-24-43-37(38-42-11-14-50(35)38)45-28-23-44-51(25-28)30-3-2-12-47(13-10-30)15-16-48-17-19-49(20-18-48)29-6-4-27(5-7-29)31-8-9-36(52)46-39(31)53/h4-7,11,14,21-25,30-31H,2-3,8-10,12-13,15-20H2,1H3,(H,43,45)(H,46,52,53)/t30-,31?/m1/s1
InChIKeyRIQQAFAUJCWSGM-PBBFAOSKSA-N
MW722.85 g/mol
LogP5.29
Rot. Bonds9

About 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

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 (PubChem CID 171821139) has the molecular formula C39H44F2N10O2 and a molecular weight of 722.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID171821139
Molecular FormulaC39H44F2N10O2
Molecular Weight722.85 g/mol
Exact Mass722.36
IUPAC Name3-[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
SMILESCc1cc(-c2cnc(Nc3cnn([C@@H]4CCCN(CCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C39H44F2N10O2/c1-26-21-32(34(41)22-33(26)40)35-24-43-37(38-42-11-14-50(35)38)45-28-23-44-51(25-28)30-3-2-12-47(13-10-30)15-16-48-17-19-49(20-18-48)29-6-4-27(5-7-29)31-8-9-36(52)46-39(31)53/h4-7,11,14,21-25,30-31H,2-3,8-10,12-13,15-20H2,1H3,(H,43,45)(H,46,52,53)/t30-,31?/m1/s1
InChIKeyRIQQAFAUJCWSGM-PBBFAOSKSA-N
XLogP5.29
TPSA115.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500722.85
LogP ≤ 55.29
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-[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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
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
7-cyclopentyl-2-[[5-[4-[2-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586178
tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 171821154
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cnc(Nc3cnn([C@@H]4CCCN(CCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)c3)c3nccn23)c(F)cc1F.
What is the InChIKey of 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?
The InChIKey is RIQQAFAUJCWSGM-PBBFAOSKSA-N. The full InChI is InChI=1S/C39H44F2N10O2/c1-26-21-32(34(41)22-33(26)40)35-24-43-37(38-42-11-14-50(35)38)45-28-23-44-51(25-28)30-3-2-12-47(13-10-30)15-16-48-17-19-49(20-18-48)29-6-4-27(5-7-29)31-8-9-36(52)46-39(31)53/h4-7,11,14,21-25,30-31H,2-3,8-10,12-13,15-20H2,1H3,(H,43,45)(H,46,52,53)/t30-,31?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 722.85 g/mol, XLogP of 5.29, 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-[(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 is sourced from PubChem (CID 171821139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).