6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

C23H19N5O2 — CID 54670699

IUPAC6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCOc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1OC
InChIInChI=1S/C23H19N5O2/c1-29-21-10-6-17(13-22(21)30-2)19-8-9-20-23(25-19)28(27-26-20)14-15-5-7-18-16(12-15)4-3-11-24-18/h3-13H,14H2,1-2H3
InChIKeyXTOCPKPLWFXPEK-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.11
Rot. Bonds5

About 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 54670699) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID54670699
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCOc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1OC
InChIInChI=1S/C23H19N5O2/c1-29-21-10-6-17(13-22(21)30-2)19-8-9-20-23(25-19)28(27-26-20)14-15-5-7-18-16(12-15)4-3-11-24-18/h3-13H,14H2,1-2H3
InChIKeyXTOCPKPLWFXPEK-UHFFFAOYSA-N
XLogP4.11
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 54670699) is 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is COc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1OC.
What is the InChIKey of 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is XTOCPKPLWFXPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-29-21-10-6-17(13-22(21)30-2)19-8-9-20-23(25-19)28(27-26-20)14-15-5-7-18-16(12-15)4-3-11-24-18/h3-13H,14H2,1-2H3.
What are the key properties of 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 397.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 54670699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).