3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine

C22H19N5O2 — CID 162661832

IUPAC3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3ccc(-c4ccc5c(cnn5C)c4)cn23)cc1OC
InChIInChI=1S/C22H19N5O2/c1-26-18-7-4-14(10-17(18)12-23-26)16-6-9-21-24-25-22(27(21)13-16)15-5-8-19(28-2)20(11-15)29-3/h4-13H,1-3H3
InChIKeyZZZMVGDUSRKIPK-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.97
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine

3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162661832) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162661832
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3ccc(-c4ccc5c(cnn5C)c4)cn23)cc1OC
InChIInChI=1S/C22H19N5O2/c1-26-18-7-4-14(10-17(18)12-23-26)16-6-9-21-24-25-22(27(21)13-16)15-5-8-19(28-2)20(11-15)29-3/h4-13H,1-3H3
InChIKeyZZZMVGDUSRKIPK-UHFFFAOYSA-N
XLogP3.97
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162661832) is 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2nnc3ccc(-c4ccc5c(cnn5C)c4)cn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZZZMVGDUSRKIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-26-18-7-4-14(10-17(18)12-23-26)16-6-9-21-24-25-22(27(21)13-16)15-5-8-19(28-2)20(11-15)29-3/h4-13H,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 385.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-(1-methylindazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162661832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).