3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione

C33H40BrN7O3 — CID 170978346

IUPAC3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESCN1CC(Nc2cnn(C)c(=O)c2Br)CC(c2ccc(CN3CCN(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)cc2)C1
InChIInChI=1S/C33H40BrN7O3/c1-38-20-25(17-26(21-38)36-29-18-35-39(2)33(44)31(29)34)23-5-3-22(4-6-23)19-40-13-15-41(16-14-40)27-9-7-24(8-10-27)28-11-12-30(42)37-32(28)43/h3-10,18,25-26,28,36H,11-17,19-21H2,1-2H3,(H,37,42,43)
InChIKeyOERYFYWSBJECNA-UHFFFAOYSA-N
MW662.63 g/mol
LogP3.29
Rot. Bonds7

About 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione

3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 170978346) has the molecular formula C33H40BrN7O3 and a molecular weight of 662.63 g/mol. Its IUPAC name is 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID170978346
Molecular FormulaC33H40BrN7O3
Molecular Weight662.63 g/mol
Exact Mass661.24
IUPAC Name3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESCN1CC(Nc2cnn(C)c(=O)c2Br)CC(c2ccc(CN3CCN(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)cc2)C1
InChIInChI=1S/C33H40BrN7O3/c1-38-20-25(17-26(21-38)36-29-18-35-39(2)33(44)31(29)34)23-5-3-22(4-6-23)19-40-13-15-41(16-14-40)27-9-7-24(8-10-27)28-11-12-30(42)37-32(28)43/h3-10,18,25-26,28,36H,11-17,19-21H2,1-2H3,(H,37,42,43)
InChIKeyOERYFYWSBJECNA-UHFFFAOYSA-N
XLogP3.29
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.63
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]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-[3-[4-[[4-[(3S,5S)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170979623
3-[4-[2-[[4-[(3R,5R)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]piperidine-2,6-dione
CID 170980163
3-[5-[4-[[4-[(3R,5R)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]-2-methylphenyl]piperidine-2,6-dione
CID 170980179
3-[4-[[4-[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]benzoyl]piperazin-1-yl]methyl]phenyl]piperidine-2,6-dione
CID 170979935
3-[4-[3-[[4-[(3S,5S)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methylamino]azetidin-1-yl]phenyl]piperidine-2,6-dione
CID 170979774
3-[3-[9-[[4-[(3R,5R)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
CID 170978180
3-[4-[9-[[4-[(3R,5R)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-fluorophenyl]piperidine-2,6-dione
CID 170978959
3-[4-[9-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 170978363
3-[5-[4-[[4-[(3S,5S)-5-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione
CID 170979938
3-[5-[1-[[4-[(3R,5R)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperidin-4-yl]oxy-2-fluorophenyl]piperidine-2,6-dione
CID 170979071
3-[4-[4-[[4-[5-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]piperidine-2,6-dione
CID 170979957
3-[4-[2-[4-[(3R,5R)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]benzoyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]piperidine-2,6-dione
CID 170978465

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione (CID 170978346) is 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione is CN1CC(Nc2cnn(C)c(=O)c2Br)CC(c2ccc(CN3CCN(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)cc2)C1.
What is the InChIKey of 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is OERYFYWSBJECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40BrN7O3/c1-38-20-25(17-26(21-38)36-29-18-35-39(2)33(44)31(29)34)23-5-3-22(4-6-23)19-40-13-15-41(16-14-40)27-9-7-24(8-10-27)28-11-12-30(42)37-32(28)43/h3-10,18,25-26,28,36H,11-17,19-21H2,1-2H3,(H,37,42,43).
What are the key properties of 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 662.63 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170978346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).