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

C28H27N7O2 — CID 155296435

IUPAC2-[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5ccccc5O)cn5ncnc45)cn3)CC2)cn1
InChIInChI=1S/C28H27N7O2/c1-37-27-9-6-20(15-30-27)17-33-10-12-34(13-11-33)26-8-7-21(16-29-26)24-14-22(18-35-28(24)31-19-32-35)23-4-2-3-5-25(23)36/h2-9,14-16,18-19,36H,10-13,17H2,1H3
InChIKeyZMTPSCUWRJTWEG-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.89
Rot. Bonds6

About 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

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 (PubChem CID 155296435) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
PubChem CID155296435
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name2-[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5ccccc5O)cn5ncnc45)cn3)CC2)cn1
InChIInChI=1S/C28H27N7O2/c1-37-27-9-6-20(15-30-27)17-33-10-12-34(13-11-33)26-8-7-21(16-29-26)24-14-22(18-35-28(24)31-19-32-35)23-4-2-3-5-25(23)36/h2-9,14-16,18-19,36H,10-13,17H2,1H3
InChIKeyZMTPSCUWRJTWEG-UHFFFAOYSA-N
XLogP3.89
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
6-(1-ethylpyridin-1-ium-4-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164817358
2-fluoro-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146528446
6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163630825
6-(3-hydroxypropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436418
6-hydroxy-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 134496009
6-(2-hydroxypropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436380
2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146528482
6-(2-ethylbutoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436904
2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146528516
2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146529518

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CN2CCN(c3ccc(-c4cc(-c5ccccc5O)cn5ncnc45)cn3)CC2)cn1.
What is the InChIKey of 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?
The InChIKey is ZMTPSCUWRJTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-37-27-9-6-20(15-30-27)17-33-10-12-34(13-11-33)26-8-7-21(16-29-26)24-14-22(18-35-28(24)31-19-32-35)23-4-2-3-5-25(23)36/h2-9,14-16,18-19,36H,10-13,17H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 493.57 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155296435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).