2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride

C21H18ClN9 — CID 155011911

IUPAC2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride
SMILESCl.Cn1ccc(-c2[nH]c(CNc3ccccc3C#N)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C21H17N9.ClH/c1-29-9-8-17(28-29)21-20(15-6-7-19-24-13-25-30(19)12-15)26-18(27-21)11-23-16-5-3-2-4-14(16)10-22;/h2-9,12-13,23H,11H2,1H3,(H,26,27);1H
InChIKeyJZWQFQJFVUQBSK-UHFFFAOYSA-N
MW431.89 g/mol
LogP3.43
Rot. Bonds5

About 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride

2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride (PubChem CID 155011911) has the molecular formula C21H18ClN9 and a molecular weight of 431.89 g/mol. Its IUPAC name is 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride
PubChem CID155011911
Molecular FormulaC21H18ClN9
Molecular Weight431.89 g/mol
Exact Mass431.14
IUPAC Name2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride
SMILESCl.Cn1ccc(-c2[nH]c(CNc3ccccc3C#N)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C21H17N9.ClH/c1-29-9-8-17(28-29)21-20(15-6-7-19-24-13-25-30(19)12-15)26-18(27-21)11-23-16-5-3-2-4-14(16)10-22;/h2-9,12-13,23H,11H2,1H3,(H,26,27);1H
InChIKeyJZWQFQJFVUQBSK-UHFFFAOYSA-N
XLogP3.43
TPSA112.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride?
The IUPAC name of 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride (CID 155011911) is 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride.
What is the SMILES notation for 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride?
The canonical SMILES for 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride is Cl.Cn1ccc(-c2[nH]c(CNc3ccccc3C#N)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride?
The InChIKey is JZWQFQJFVUQBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9.ClH/c1-29-9-8-17(28-29)21-20(15-6-7-19-24-13-25-30(19)12-15)26-18(27-21)11-23-16-5-3-2-4-14(16)10-22;/h2-9,12-13,23H,11H2,1H3,(H,26,27);1H.
What are the key properties of 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride?
2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride has a molecular weight of 431.89 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile;hydrochloride is sourced from PubChem (CID 155011911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).