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

C26H25N9 — CID 66633211

IUPAC4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile
SMILESCc1cccc(-c2[nH]c(N(C)c3cc(C#N)ccc3CN(C)C)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C26H25N9/c1-17-6-5-7-21(30-17)25-24(20-10-11-23-28-16-29-35(23)15-20)31-26(32-25)34(4)22-12-18(13-27)8-9-19(22)14-33(2)3/h5-12,15-16H,14H2,1-4H3,(H,31,32)
InChIKeyWJXQEZLUSOTYIG-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.19
Rot. Bonds6

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

4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile (PubChem CID 66633211) has the molecular formula C26H25N9 and a molecular weight of 463.55 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile
PubChem CID66633211
Molecular FormulaC26H25N9
Molecular Weight463.55 g/mol
Exact Mass463.22
IUPAC Name4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile
SMILESCc1cccc(-c2[nH]c(N(C)c3cc(C#N)ccc3CN(C)C)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C26H25N9/c1-17-6-5-7-21(30-17)25-24(20-10-11-23-28-16-29-35(23)15-20)31-26(32-25)34(4)22-12-18(13-27)8-9-19(22)14-33(2)3/h5-12,15-16H,14H2,1-4H3,(H,31,32)
InChIKeyWJXQEZLUSOTYIG-UHFFFAOYSA-N
XLogP4.19
TPSA102.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile?
The IUPAC name of 4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile (CID 66633211) is 4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile is Cc1cccc(-c2[nH]c(N(C)c3cc(C#N)ccc3CN(C)C)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile?
The InChIKey is WJXQEZLUSOTYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9/c1-17-6-5-7-21(30-17)25-24(20-10-11-23-28-16-29-35(23)15-20)31-26(32-25)34(4)22-12-18(13-27)8-9-19(22)14-33(2)3/h5-12,15-16H,14H2,1-4H3,(H,31,32).
What are the key properties of 4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile?
4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile has a molecular weight of 463.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzonitrile is sourced from PubChem (CID 66633211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).