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

C28H32N8O2 — CID 155296314

IUPAC8-[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
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5CN(C)C5)cn5ncnc45)cn2)C3)cn1
InChIInChI=1S/C28H32N8O2/c1-33-11-20(12-33)17-38-24-8-25(28-31-18-32-36(28)16-24)21-4-5-26(29-10-21)34-14-22-7-23(15-34)35(22)13-19-3-6-27(37-2)30-9-19/h3-6,8-10,16,18,20,22-23H,7,11-15,17H2,1-2H3
InChIKeyGUARCSIRUGRPEP-UHFFFAOYSA-N
MW512.62 g/mol
LogP2.60
Rot. Bonds8

About 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

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 (PubChem CID 155296314) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID155296314
Molecular FormulaC28H32N8O2
Molecular Weight512.62 g/mol
Exact Mass512.26
IUPAC Name8-[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
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5CN(C)C5)cn5ncnc45)cn2)C3)cn1
InChIInChI=1S/C28H32N8O2/c1-33-11-20(12-33)17-38-24-8-25(28-31-18-32-36(28)16-24)21-4-5-26(29-10-21)34-14-22-7-23(15-34)35(22)13-19-3-6-27(37-2)30-9-19/h3-6,8-10,16,18,20,22-23H,7,11-15,17H2,1-2H3
InChIKeyGUARCSIRUGRPEP-UHFFFAOYSA-N
XLogP2.60
TPSA84.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.62
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5CN(C)C5)cn5ncnc45)cn2)C3)cn1.
What is the InChIKey of 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?
The InChIKey is GUARCSIRUGRPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-33-11-20(12-33)17-38-24-8-25(28-31-18-32-36(28)16-24)21-4-5-26(29-10-21)34-14-22-7-23(15-34)35(22)13-19-3-6-27(37-2)30-9-19/h3-6,8-10,16,18,20,22-23H,7,11-15,17H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 512.62 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155296314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).