5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol

C69H79F2N21O2 — CID 159588060

IUPAC5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol
SMILESCC1(C)CC(n2cnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2cnc3nc(-c4cc(F)c(-c5cn[nH]c5)cc4F)cnc32)CC(C)(C)N1.CC1(C)CC(n2cnc3nc(-c4ccc(-c5cn[nH]c5)cc4O)cnc32)CC(C)(C)N1
InChIInChI=1S/C23H25F2N7.2C23H27N7O/c1-22(2)7-14(8-23(3,4)31-22)32-12-27-20-21(32)26-11-19(30-20)16-6-17(24)15(5-18(16)25)13-9-28-29-10-13;1-22(2)9-16(10-23(3,4)29-22)30-13-24-19-8-18(27-28-21(19)30)17-6-5-14(7-20(17)31)15-11-25-26-12-15;1-22(2)8-16(9-23(3,4)29-22)30-13-25-20-21(30)24-12-18(28-20)17-6-5-14(7-19(17)31)15-10-26-27-11-15/h5-6,9-12,14,31H,7-8H2,1-4H3,(H,28,29);5-8,11-13,16,29,31H,9-10H2,1-4H3,(H,25,26);5-7,10-13,16,29,31H,8-9H2,1-4H3,(H,26,27)
InChIKeyMJWMMTDAAUKBFA-UHFFFAOYSA-N
MW1272.53 g/mol
LogP12.78
Rot. Bonds9

About 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol

5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol (PubChem CID 159588060) has the molecular formula C69H79F2N21O2 and a molecular weight of 1272.53 g/mol. Its IUPAC name is 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol
PubChem CID159588060
Molecular FormulaC69H79F2N21O2
Molecular Weight1272.53 g/mol
Exact Mass1271.67
IUPAC Name5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol
SMILESCC1(C)CC(n2cnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2cnc3nc(-c4cc(F)c(-c5cn[nH]c5)cc4F)cnc32)CC(C)(C)N1.CC1(C)CC(n2cnc3nc(-c4ccc(-c5cn[nH]c5)cc4O)cnc32)CC(C)(C)N1
InChIInChI=1S/C23H25F2N7.2C23H27N7O/c1-22(2)7-14(8-23(3,4)31-22)32-12-27-20-21(32)26-11-19(30-20)16-6-17(24)15(5-18(16)25)13-9-28-29-10-13;1-22(2)9-16(10-23(3,4)29-22)30-13-24-19-8-18(27-28-21(19)30)17-6-5-14(7-20(17)31)15-11-25-26-12-15;1-22(2)8-16(9-23(3,4)29-22)30-13-25-20-21(30)24-12-18(28-20)17-6-5-14(7-19(17)31)15-10-26-27-11-15/h5-6,9-12,14,31H,7-8H2,1-4H3,(H,28,29);5-8,11-13,16,29,31H,9-10H2,1-4H3,(H,25,26);5-7,10-13,16,29,31H,8-9H2,1-4H3,(H,26,27)
InChIKeyMJWMMTDAAUKBFA-UHFFFAOYSA-N
XLogP12.78
TPSA293.39 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001272.53
LogP ≤ 512.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol 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-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
5-[7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 59177954
5-[7-[4-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 74957162
3-[7-[4-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 75223816
3-[4-amino-1-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78320626
3-[4-Amino-1-[[4-(3-fluoro-5-hydroxyphenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78324388
3-[4-Amino-1-[[5-methyl-4-(2-pyrrolidin-1-ylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344933
3-[4-amino-1-[[4-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344958
3-[4-amino-1-[(1S)-1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344987
3-[4-Amino-1-[[4-(2,5-diazabicyclo[2.2.2]octan-2-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90345012
3-[4-amino-1-[[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90345084

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol?
The IUPAC name of 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol (CID 159588060) is 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol?
The canonical SMILES for 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol is CC1(C)CC(n2cnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2cnc3nc(-c4cc(F)c(-c5cn[nH]c5)cc4F)cnc32)CC(C)(C)N1.CC1(C)CC(n2cnc3nc(-c4ccc(-c5cn[nH]c5)cc4O)cnc32)CC(C)(C)N1.
What is the InChIKey of 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol?
The InChIKey is MJWMMTDAAUKBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7.2C23H27N7O/c1-22(2)7-14(8-23(3,4)31-22)32-12-27-20-21(32)26-11-19(30-20)16-6-17(24)15(5-18(16)25)13-9-28-29-10-13;1-22(2)9-16(10-23(3,4)29-22)30-13-24-19-8-18(27-28-21(19)30)17-6-5-14(7-20(17)31)15-11-25-26-12-15;1-22(2)8-16(9-23(3,4)29-22)30-13-25-20-21(30)24-12-18(28-20)17-6-5-14(7-19(17)31)15-10-26-27-11-15/h5-6,9-12,14,31H,7-8H2,1-4H3,(H,28,29);5-8,11-13,16,29,31H,9-10H2,1-4H3,(H,25,26);5-7,10-13,16,29,31H,8-9H2,1-4H3,(H,26,27).
What are the key properties of 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol?
5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol has a molecular weight of 1272.53 g/mol, XLogP of 12.78, 9 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazine;5-(1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 159588060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).