3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide

C24H20N8O2 — CID 90656207

IUPAC3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C(N)=O)c3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C24H20N8O2/c1-15-4-2-7-20(28-15)23-19(17-8-9-21-26-14-27-32(21)11-17)12-31(30-23)13-22(33)29-18-6-3-5-16(10-18)24(25)34/h2-12,14H,13H2,1H3,(H2,25,34)(H,29,33)
InChIKeyUHUSHIOIJAXDND-UHFFFAOYSA-N
MW452.48 g/mol
LogP2.70
Rot. Bonds6

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

3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide (PubChem CID 90656207) has the molecular formula C24H20N8O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide
PubChem CID90656207
Molecular FormulaC24H20N8O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC Name3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C(N)=O)c3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C24H20N8O2/c1-15-4-2-7-20(28-15)23-19(17-8-9-21-26-14-27-32(21)11-17)12-31(30-23)13-22(33)29-18-6-3-5-16(10-18)24(25)34/h2-12,14H,13H2,1H3,(H2,25,34)(H,29,33)
InChIKeyUHUSHIOIJAXDND-UHFFFAOYSA-N
XLogP2.70
TPSA133.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide (CID 90656207) is 3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide is Cc1cccc(-c2nn(CC(=O)Nc3cccc(C(N)=O)c3)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide?
The InChIKey is UHUSHIOIJAXDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2/c1-15-4-2-7-20(28-15)23-19(17-8-9-21-26-14-27-32(21)11-17)12-31(30-23)13-22(33)29-18-6-3-5-16(10-18)24(25)34/h2-12,14H,13H2,1H3,(H2,25,34)(H,29,33).
What are the key properties of 3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide?
3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide has a molecular weight of 452.48 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 90656207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).