5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H19N7 — CID 44555691

IUPAC5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Nc2nc3cccc(-c4cnn(Cc5ccccc5)c4)n3n2)ccn1
InChIInChI=1S/C22H19N7/c1-16-12-19(10-11-23-16)25-22-26-21-9-5-8-20(29(21)27-22)18-13-24-28(15-18)14-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,23,25,27)
InChIKeyHDKSOZIUXNTQGQ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.09
Rot. Bonds5

About 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 44555691) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID44555691
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC Name5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Nc2nc3cccc(-c4cnn(Cc5ccccc5)c4)n3n2)ccn1
InChIInChI=1S/C22H19N7/c1-16-12-19(10-11-23-16)25-22-26-21-9-5-8-20(29(21)27-22)18-13-24-28(15-18)14-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,23,25,27)
InChIKeyHDKSOZIUXNTQGQ-UHFFFAOYSA-N
XLogP4.09
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 44555691) is 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(Nc2nc3cccc(-c4cnn(Cc5ccccc5)c4)n3n2)ccn1.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HDKSOZIUXNTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7/c1-16-12-19(10-11-23-16)25-22-26-21-9-5-8-20(29(21)27-22)18-13-24-28(15-18)14-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,23,25,27).
What are the key properties of 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 381.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 44555691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).