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

C23H18N8 — CID 54771538

IUPAC4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile
SMILESCc1cccc(-c2[nH]c(CNc3ccc(C#N)cc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H18N8/c1-15-3-2-4-19(28-15)23-22(17-7-10-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-8-5-16(11-24)6-9-18/h2-10,13-14,25H,12H2,1H3,(H,29,30)
InChIKeyBNSREOCHWQWSGK-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.97
Rot. Bonds5

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

4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile (PubChem CID 54771538) has the molecular formula C23H18N8 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile
PubChem CID54771538
Molecular FormulaC23H18N8
Molecular Weight406.45 g/mol
Exact Mass406.17
IUPAC Name4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile
SMILESCc1cccc(-c2[nH]c(CNc3ccc(C#N)cc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H18N8/c1-15-3-2-4-19(28-15)23-22(17-7-10-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-8-5-16(11-24)6-9-18/h2-10,13-14,25H,12H2,1H3,(H,29,30)
InChIKeyBNSREOCHWQWSGK-UHFFFAOYSA-N
XLogP3.97
TPSA107.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile?
The IUPAC name of 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile (CID 54771538) is 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile.
What is the SMILES notation for 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile?
The canonical SMILES for 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile is Cc1cccc(-c2[nH]c(CNc3ccc(C#N)cc3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile?
The InChIKey is BNSREOCHWQWSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8/c1-15-3-2-4-19(28-15)23-22(17-7-10-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-8-5-16(11-24)6-9-18/h2-10,13-14,25H,12H2,1H3,(H,29,30).
What are the key properties of 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile?
4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile has a molecular weight of 406.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile is sourced from PubChem (CID 54771538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).