2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide

C23H19N7O — CID 90656197

IUPAC2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H19N7O/c1-16-6-5-9-20(26-16)23-19(17-10-11-21-24-15-25-30(21)12-17)13-29(28-23)14-22(31)27-18-7-3-2-4-8-18/h2-13,15H,14H2,1H3,(H,27,31)
InChIKeyLASDRZSKVSSTHA-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.60
Rot. Bonds5

About 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide

2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide (PubChem CID 90656197) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide
PubChem CID90656197
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H19N7O/c1-16-6-5-9-20(26-16)23-19(17-10-11-21-24-15-25-30(21)12-17)13-29(28-23)14-22(31)27-18-7-3-2-4-8-18/h2-13,15H,14H2,1H3,(H,27,31)
InChIKeyLASDRZSKVSSTHA-UHFFFAOYSA-N
XLogP3.60
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide (CID 90656197) is 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide is Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is LASDRZSKVSSTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-16-6-5-9-20(26-16)23-19(17-10-11-21-24-15-25-30(21)12-17)13-29(28-23)14-22(31)27-18-7-3-2-4-8-18/h2-13,15H,14H2,1H3,(H,27,31).
What are the key properties of 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide?
2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide has a molecular weight of 409.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 90656197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).