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

C23H22BrN7O — CID 155296362

IUPAC6-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
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(Br)cn5ncnc45)cn2)C3)cn1
InChIInChI=1S/C23H22BrN7O/c1-32-22-5-2-15(8-26-22)10-30-18-7-19(30)13-29(12-18)21-4-3-16(9-25-21)20-6-17(24)11-31-23(20)27-14-28-31/h2-6,8-9,11,14,18-19H,7,10,12-13H2,1H3
InChIKeyONVVLCMPTRMHOV-UHFFFAOYSA-N
MW492.38 g/mol
LogP3.42
Rot. Bonds5

About 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

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 (PubChem CID 155296362) has the molecular formula C23H22BrN7O and a molecular weight of 492.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID155296362
Molecular FormulaC23H22BrN7O
Molecular Weight492.38 g/mol
Exact Mass491.11
IUPAC Name6-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
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(Br)cn5ncnc45)cn2)C3)cn1
InChIInChI=1S/C23H22BrN7O/c1-32-22-5-2-15(8-26-22)10-30-18-7-19(30)13-29(12-18)21-4-3-16(9-25-21)20-6-17(24)11-31-23(20)27-14-28-31/h2-6,8-9,11,14,18-19H,7,10,12-13H2,1H3
InChIKeyONVVLCMPTRMHOV-UHFFFAOYSA-N
XLogP3.42
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(Br)cn5ncnc45)cn2)C3)cn1.
What is the InChIKey of 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?
The InChIKey is ONVVLCMPTRMHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN7O/c1-32-22-5-2-15(8-26-22)10-30-18-7-19(30)13-29(12-18)21-4-3-16(9-25-21)20-6-17(24)11-31-23(20)27-14-28-31/h2-6,8-9,11,14,18-19H,7,10,12-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 492.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155296362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).