5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H21N7 — CID 44555965

IUPAC5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccc(Nc2nc3cccc(-c4cnn(CC(C)C)c4)n3n2)n1
InChIInChI=1S/C19H21N7/c1-13(2)11-25-12-15(10-20-25)16-7-5-9-18-23-19(24-26(16)18)22-17-8-4-6-14(3)21-17/h4-10,12-13H,11H2,1-3H3,(H,21,22,24)
InChIKeySINOQPDKWYHQBA-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.70
Rot. Bonds5

About 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 44555965) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID44555965
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccc(Nc2nc3cccc(-c4cnn(CC(C)C)c4)n3n2)n1
InChIInChI=1S/C19H21N7/c1-13(2)11-25-12-15(10-20-25)16-7-5-9-18-23-19(24-26(16)18)22-17-8-4-6-14(3)21-17/h4-10,12-13H,11H2,1-3H3,(H,21,22,24)
InChIKeySINOQPDKWYHQBA-UHFFFAOYSA-N
XLogP3.70
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 44555965) is 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cccc(Nc2nc3cccc(-c4cnn(CC(C)C)c4)n3n2)n1.
What is the InChIKey of 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SINOQPDKWYHQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-13(2)11-25-12-15(10-20-25)16-7-5-9-18-23-19(24-26(16)18)22-17-8-4-6-14(3)21-17/h4-10,12-13H,11H2,1-3H3,(H,21,22,24).
What are the key properties of 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 347.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylpropyl)pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 44555965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).