3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide

C23H20N8O — CID 54771759

IUPAC3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
SMILESCc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H20N8O/c1-14-4-2-7-18(28-14)22-21(16-8-9-20-26-13-27-31(20)12-16)29-19(30-22)11-25-17-6-3-5-15(10-17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30)
InChIKeyVYYFIJDUJMKSPW-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.20
Rot. Bonds6

About 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide

3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide (PubChem CID 54771759) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
PubChem CID54771759
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
SMILESCc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H20N8O/c1-14-4-2-7-18(28-14)22-21(16-8-9-20-26-13-27-31(20)12-16)29-19(30-22)11-25-17-6-3-5-15(10-17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30)
InChIKeyVYYFIJDUJMKSPW-UHFFFAOYSA-N
XLogP3.20
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide?
The IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide (CID 54771759) is 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide.
What is the SMILES notation for 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide?
The canonical SMILES for 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide is Cc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide?
The InChIKey is VYYFIJDUJMKSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-14-4-2-7-18(28-14)22-21(16-8-9-20-26-13-27-31(20)12-16)29-19(30-22)11-25-17-6-3-5-15(10-17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30).
What are the key properties of 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide?
3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide has a molecular weight of 424.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide is sourced from PubChem (CID 54771759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).