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

C28H27N7O2 — CID 155296434

IUPAC4-[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(-c5ccc(O)cc5)cn5ncnc45)cn3)CC2)cn1
InChIInChI=1S/C28H27N7O2/c1-37-27-9-2-20(15-30-27)17-33-10-12-34(13-11-33)26-8-5-22(16-29-26)25-14-23(18-35-28(25)31-19-32-35)21-3-6-24(36)7-4-21/h2-9,14-16,18-19,36H,10-13,17H2,1H3
InChIKeyFQDSFJUUOJWPPX-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.89
Rot. Bonds6

About 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

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 (PubChem CID 155296434) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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 CID155296434
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name4-[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(-c5ccc(O)cc5)cn5ncnc45)cn3)CC2)cn1
InChIInChI=1S/C28H27N7O2/c1-37-27-9-2-20(15-30-27)17-33-10-12-34(13-11-33)26-8-5-22(16-29-26)25-14-23(18-35-28(25)31-19-32-35)21-3-6-24(36)7-4-21/h2-9,14-16,18-19,36H,10-13,17H2,1H3
InChIKeyFQDSFJUUOJWPPX-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 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CN2CCN(c3ccc(-c4cc(-c5ccc(O)cc5)cn5ncnc45)cn3)CC2)cn1.
What is the InChIKey of 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?
The InChIKey is FQDSFJUUOJWPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-37-27-9-2-20(15-30-27)17-33-10-12-34(13-11-33)26-8-5-22(16-29-26)25-14-23(18-35-28(25)31-19-32-35)21-3-6-24(36)7-4-21/h2-9,14-16,18-19,36H,10-13,17H2,1H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 155296434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).