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

C24H18N8O — CID 90656208

IUPACN-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C24H18N8O/c1-16-4-2-7-21(28-16)24-20(18-8-9-22-26-15-27-32(22)12-18)13-31(30-24)14-23(33)29-19-6-3-5-17(10-19)11-25/h2-10,12-13,15H,14H2,1H3,(H,29,33)
InChIKeyGELDVSOPZYZMDP-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.47
Rot. Bonds5

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

N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide (PubChem CID 90656208) has the molecular formula C24H18N8O and a molecular weight of 434.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide
PubChem CID90656208
Molecular FormulaC24H18N8O
Molecular Weight434.46 g/mol
Exact Mass434.16
IUPAC NameN-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C24H18N8O/c1-16-4-2-7-21(28-16)24-20(18-8-9-22-26-15-27-32(22)12-18)13-31(30-24)14-23(33)29-19-6-3-5-17(10-19)11-25/h2-10,12-13,15H,14H2,1H3,(H,29,33)
InChIKeyGELDVSOPZYZMDP-UHFFFAOYSA-N
XLogP3.47
TPSA113.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide (CID 90656208) is N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide is Cc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide?
The InChIKey is GELDVSOPZYZMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8O/c1-16-4-2-7-21(28-16)24-20(18-8-9-22-26-15-27-32(22)12-18)13-31(30-24)14-23(33)29-19-6-3-5-17(10-19)11-25/h2-10,12-13,15H,14H2,1H3,(H,29,33).
What are the key properties of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide?
N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide has a molecular weight of 434.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 90656208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).