3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C22H19N5 — CID 162655642

IUPAC3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cccc(-c2ccc3nnc(-c4ccc5cn[nH]c5c4)n3c2)c1
InChIInChI=1S/C22H19N5/c1-14(2)15-4-3-5-16(10-15)19-8-9-21-25-26-22(27(21)13-19)17-6-7-18-12-23-24-20(18)11-17/h3-14H,1-2H3,(H,23,24)
InChIKeyJEKZHDGGTNMWRC-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.06
Rot. Bonds3

About 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162655642) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162655642
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cccc(-c2ccc3nnc(-c4ccc5cn[nH]c5c4)n3c2)c1
InChIInChI=1S/C22H19N5/c1-14(2)15-4-3-5-16(10-15)19-8-9-21-25-26-22(27(21)13-19)17-6-7-18-12-23-24-20(18)11-17/h3-14H,1-2H3,(H,23,24)
InChIKeyJEKZHDGGTNMWRC-UHFFFAOYSA-N
XLogP5.06
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162655642) is 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1cccc(-c2ccc3nnc(-c4ccc5cn[nH]c5c4)n3c2)c1.
What is the InChIKey of 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JEKZHDGGTNMWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-14(2)15-4-3-5-16(10-15)19-8-9-21-25-26-22(27(21)13-19)17-6-7-18-12-23-24-20(18)11-17/h3-14H,1-2H3,(H,23,24).
What are the key properties of 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 353.43 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162655642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).