3-[7-[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

C41H45F2N11O2 — CID 171820976

IUPAC3-[7-[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
SMILESCc1cc(-c2cnc(Nc3cnn(C4CCC(CCN5CCN(c6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)CC5)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C41H45F2N11O2/c1-25-20-31(33(43)21-32(25)42)35-23-45-39(40-44-13-15-53(35)40)47-27-22-46-54(24-27)28-8-6-26(7-9-28)12-14-51-16-18-52(19-17-51)34-5-3-4-29-37(49-50(2)38(29)34)30-10-11-36(55)48-41(30)56/h3-5,13,15,20-24,26,28,30H,6-12,14,16-19H2,1-2H3,(H,45,47)(H,48,55,56)
InChIKeyKOWXHPWHFZGVGD-UHFFFAOYSA-N
MW761.88 g/mol
LogP6.27
Rot. Bonds9

About 3-[7-[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

3-[7-[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 (PubChem CID 171820976) has the molecular formula C41H45F2N11O2 and a molecular weight of 761.88 g/mol. Its IUPAC name is 3-[7-[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.

Molecular Properties

Compound Name3-[7-[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
PubChem CID171820976
Molecular FormulaC41H45F2N11O2
Molecular Weight761.88 g/mol
Exact Mass761.37
IUPAC Name3-[7-[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
SMILESCc1cc(-c2cnc(Nc3cnn(C4CCC(CCN5CCN(c6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)CC5)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C41H45F2N11O2/c1-25-20-31(33(43)21-32(25)42)35-23-45-39(40-44-13-15-53(35)40)47-27-22-46-54(24-27)28-8-6-26(7-9-28)12-14-51-16-18-52(19-17-51)34-5-3-4-29-37(49-50(2)38(29)34)30-10-11-36(55)48-41(30)56/h3-5,13,15,20-24,26,28,30H,6-12,14,16-19H2,1-2H3,(H,45,47)(H,48,55,56)
InChIKeyKOWXHPWHFZGVGD-UHFFFAOYSA-N
XLogP6.27
TPSA130.51 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.88
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[7-[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 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-[6-Fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451172
3-[5-Fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451189
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079804
N-(6-(1-(1-(4-cyanobenzoyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 136214278
US11071730, Example 33
CID 146640080
(2s)-N,2-Dicyclohexyl-2-{5,6-Difluoro-2-[6-(1h-Pyrazol-1-Yl)pyridin-3-Yl]-1h-Benzimidazol-1-Yl}acetamide
CID 126962414
4-[4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 145969519
3-[1-(3-Imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 155525540
3-[1-(3-Imidazol-1-ylpropyl)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 155538180
N-[4-[[4-[4-[1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-4-yl]butanoyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 156013418
2-Fluoro-3-methyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 49872179

Frequently Asked Questions

What is the IUPAC name of 3-[7-[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?
The IUPAC name of 3-[7-[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 171820976) is 3-[7-[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.
What is the SMILES notation for 3-[7-[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?
The canonical SMILES for 3-[7-[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 is Cc1cc(-c2cnc(Nc3cnn(C4CCC(CCN5CCN(c6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)CC5)CC4)c3)c3nccn23)c(F)cc1F.
What is the InChIKey of 3-[7-[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?
The InChIKey is KOWXHPWHFZGVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45F2N11O2/c1-25-20-31(33(43)21-32(25)42)35-23-45-39(40-44-13-15-53(35)40)47-27-22-46-54(24-27)28-8-6-26(7-9-28)12-14-51-16-18-52(19-17-51)34-5-3-4-29-37(49-50(2)38(29)34)30-10-11-36(55)48-41(30)56/h3-5,13,15,20-24,26,28,30H,6-12,14,16-19H2,1-2H3,(H,45,47)(H,48,55,56).
What are the key properties of 3-[7-[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?
3-[7-[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 has a molecular weight of 761.88 g/mol, XLogP of 6.27, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[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 is sourced from PubChem (CID 171820976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).