5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol

C57H65N23O3 — CID 160815302

IUPAC5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol
SMILESCC(C)NC1CCN(c2ncc(-c3ccc(-c4ccc5nccn5n4)cc3O)nn2)C1.CNC1CCN(c2ncc(-c3ccc(-c4ccn(C)n4)cc3O)nn2)C1.CNC1CCN(c2ncc(-c3ccc(-c4cnn(C)n4)cc3O)nn2)C1
InChIInChI=1S/C22H24N8O.C18H21N7O.C17H20N8O/c1-14(2)25-16-7-9-29(13-16)22-24-12-19(26-27-22)17-4-3-15(11-20(17)31)18-5-6-21-23-8-10-30(21)28-18;1-19-13-5-8-25(11-13)18-20-10-16(21-22-18)14-4-3-12(9-17(14)26)15-6-7-24(2)23-15;1-18-12-5-6-25(10-12)17-19-8-15(21-22-17)13-4-3-11(7-16(13)26)14-9-20-24(2)23-14/h3-6,8,10-12,14,16,25,31H,7,9,13H2,1-2H3;3-4,6-7,9-10,13,19,26H,5,8,11H2,1-2H3;3-4,7-9,12,18,26H,5-6,10H2,1-2H3
InChIKeySEVBSPYGWOVYPK-UHFFFAOYSA-N
MW1120.30 g/mol
LogP4.81
Rot. Bonds13

About 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol

5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol (PubChem CID 160815302) has the molecular formula C57H65N23O3 and a molecular weight of 1120.30 g/mol. Its IUPAC name is 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol.

Molecular Properties

Compound Name5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol
PubChem CID160815302
Molecular FormulaC57H65N23O3
Molecular Weight1120.30 g/mol
Exact Mass1119.56
IUPAC Name5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol
SMILESCC(C)NC1CCN(c2ncc(-c3ccc(-c4ccc5nccn5n4)cc3O)nn2)C1.CNC1CCN(c2ncc(-c3ccc(-c4ccn(C)n4)cc3O)nn2)C1.CNC1CCN(c2ncc(-c3ccc(-c4cnn(C)n4)cc3O)nn2)C1
InChIInChI=1S/C22H24N8O.C18H21N7O.C17H20N8O/c1-14(2)25-16-7-9-29(13-16)22-24-12-19(26-27-22)17-4-3-15(11-20(17)31)18-5-6-21-23-8-10-30(21)28-18;1-19-13-5-8-25(11-13)18-20-10-16(21-22-18)14-4-3-12(9-17(14)26)15-6-7-24(2)23-15;1-18-12-5-6-25(10-12)17-19-8-15(21-22-17)13-4-3-11(7-16(13)26)14-9-20-24(2)23-14/h3-6,8,10-12,14,16,25,31H,7,9,13H2,1-2H3;3-4,6-7,9-10,13,19,26H,5,8,11H2,1-2H3;3-4,7-9,12,18,26H,5-6,10H2,1-2H3
InChIKeySEVBSPYGWOVYPK-UHFFFAOYSA-N
XLogP4.81
TPSA301.23 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001120.30
LogP ≤ 54.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol with MolForge

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Related Compounds

3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
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
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880136
5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887391
2-[3-[(3S)-3-cyclopropylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazolo[4,5-b]pyridin-6-yl)phenol
CID 156887473
2-[3-(3-Ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
CID 156887659
5-(4-Methoxy-1,3,5-triazin-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 156310380
3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenol
CID 71526619
3-[3-Pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
CID 155512835
3-[4-Amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515005

Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol?
The IUPAC name of 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol (CID 160815302) is 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol.
What is the SMILES notation for 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol?
The canonical SMILES for 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol is CC(C)NC1CCN(c2ncc(-c3ccc(-c4ccc5nccn5n4)cc3O)nn2)C1.CNC1CCN(c2ncc(-c3ccc(-c4ccn(C)n4)cc3O)nn2)C1.CNC1CCN(c2ncc(-c3ccc(-c4cnn(C)n4)cc3O)nn2)C1.
What is the InChIKey of 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol?
The InChIKey is SEVBSPYGWOVYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O.C18H21N7O.C17H20N8O/c1-14(2)25-16-7-9-29(13-16)22-24-12-19(26-27-22)17-4-3-15(11-20(17)31)18-5-6-21-23-8-10-30(21)28-18;1-19-13-5-8-25(11-13)18-20-10-16(21-22-18)14-4-3-12(9-17(14)26)15-6-7-24(2)23-15;1-18-12-5-6-25(10-12)17-19-8-15(21-22-17)13-4-3-11(7-16(13)26)14-9-20-24(2)23-14/h3-6,8,10-12,14,16,25,31H,7,9,13H2,1-2H3;3-4,6-7,9-10,13,19,26H,5,8,11H2,1-2H3;3-4,7-9,12,18,26H,5-6,10H2,1-2H3.
What are the key properties of 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol?
5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol has a molecular weight of 1120.30 g/mol, XLogP of 4.81, 13 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-b]pyridazin-6-yl-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-3-yl)phenol;2-[3-[3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol is sourced from PubChem (CID 160815302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).