6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol

C45H49BrN14O3 — CID 167684274

IUPAC6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESC.COc1ccc(CN2CCN(c3ccc(-c4cc(Br)cn5ncnc45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(O)cn5ncnc45)cn3)CC2)cn1
InChIInChI=1S/C22H22BrN7O.C22H23N7O2.CH4/c1-31-21-5-2-16(11-25-21)13-28-6-8-29(9-7-28)20-4-3-17(12-24-20)19-10-18(23)14-30-22(19)26-15-27-30;1-31-21-5-2-16(11-24-21)13-27-6-8-28(9-7-27)20-4-3-17(12-23-20)19-10-18(30)14-29-22(19)25-15-26-29;/h2-5,10-12,14-15H,6-9,13H2,1H3;2-5,10-12,14-15,30H,6-9,13H2,1H3;1H4
InChIKeyVZKJGLPWEJLGRS-UHFFFAOYSA-N
MW913.89 g/mol
LogP6.14
Rot. Bonds10

About 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol

6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol (PubChem CID 167684274) has the molecular formula C45H49BrN14O3 and a molecular weight of 913.89 g/mol. Its IUPAC name is 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
PubChem CID167684274
Molecular FormulaC45H49BrN14O3
Molecular Weight913.89 g/mol
Exact Mass912.33
IUPAC Name6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESC.COc1ccc(CN2CCN(c3ccc(-c4cc(Br)cn5ncnc45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(O)cn5ncnc45)cn3)CC2)cn1
InChIInChI=1S/C22H22BrN7O.C22H23N7O2.CH4/c1-31-21-5-2-16(11-25-21)13-28-6-8-29(9-7-28)20-4-3-17(12-24-20)19-10-18(23)14-30-22(19)26-15-27-30;1-31-21-5-2-16(11-24-21)13-27-6-8-28(9-7-27)20-4-3-17(12-23-20)19-10-18(30)14-29-22(19)25-15-26-29;/h2-5,10-12,14-15H,6-9,13H2,1H3;2-5,10-12,14-15,30H,6-9,13H2,1H3;1H4
InChIKeyVZKJGLPWEJLGRS-UHFFFAOYSA-N
XLogP6.14
TPSA163.59 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500913.89
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol with MolForge

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Related Compounds

3-Bromopyridine;6-(4-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol
CID 158854937
4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol
CID 171062281
4-[8-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 155296249
2-[8-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 155296251
6-Bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 155296297
8-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(1-methylazetidin-3-yl)methoxy]-[1,2,4]triazolo[1,5-a]pyridine
CID 155296314
6-Bromo-8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 155296362
4-[8-[6-[4-[(6-Methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 155296434
2-[8-[6-[4-[(6-Methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 155296435
8-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 155300889
3-[[8-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-1-[3-[[8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclobutyl]oxy-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclobutan-1-ol
CID 155301070
1-[[8-[6-[4-[(6-Methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol
CID 155301191

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The IUPAC name of 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol (CID 167684274) is 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The canonical SMILES for 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol is C.COc1ccc(CN2CCN(c3ccc(-c4cc(Br)cn5ncnc45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(O)cn5ncnc45)cn3)CC2)cn1.
What is the InChIKey of 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The InChIKey is VZKJGLPWEJLGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN7O.C22H23N7O2.CH4/c1-31-21-5-2-16(11-25-21)13-28-6-8-29(9-7-28)20-4-3-17(12-24-20)19-10-18(23)14-30-22(19)26-15-27-30;1-31-21-5-2-16(11-24-21)13-27-6-8-28(9-7-27)20-4-3-17(12-23-20)19-10-18(30)14-29-22(19)25-15-26-29;/h2-5,10-12,14-15H,6-9,13H2,1H3;2-5,10-12,14-15,30H,6-9,13H2,1H3;1H4.
What are the key properties of 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol has a molecular weight of 913.89 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methane;8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 167684274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).