2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile

C26H21N7O — CID 90682902

IUPAC2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c(C)nn(-c4ccccc4)c3-n3ccnc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C26H21N7O/c1-17-24(26(32-13-12-29-16-32)33(31-17)19-6-4-3-5-7-19)21-14-23(30-25(28)22(21)15-27)18-8-10-20(34-2)11-9-18/h3-14,16H,1-2H3,(H2,28,30)
InChIKeyVROALRHOJUCUJL-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.56
Rot. Bonds5

About 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile

2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 90682902) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID90682902
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC Name2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c(C)nn(-c4ccccc4)c3-n3ccnc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C26H21N7O/c1-17-24(26(32-13-12-29-16-32)33(31-17)19-6-4-3-5-7-19)21-14-23(30-25(28)22(21)15-27)18-8-10-20(34-2)11-9-18/h3-14,16H,1-2H3,(H2,28,30)
InChIKeyVROALRHOJUCUJL-UHFFFAOYSA-N
XLogP4.56
TPSA107.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 90682902) is 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3c(C)nn(-c4ccccc4)c3-n3ccnc3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is VROALRHOJUCUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c1-17-24(26(32-13-12-29-16-32)33(31-17)19-6-4-3-5-7-19)21-14-23(30-25(28)22(21)15-27)18-8-10-20(34-2)11-9-18/h3-14,16H,1-2H3,(H2,28,30).
What are the key properties of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 447.50 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 90682902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).