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

C27H23N7O — CID 90682903

IUPAC2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c(C)nn(-c4ccccc4)c3-n3cnc(C)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C27H23N7O/c1-17-15-33(16-30-17)27-25(18(2)32-34(27)20-7-5-4-6-8-20)22-13-24(31-26(29)23(22)14-28)19-9-11-21(35-3)12-10-19/h4-13,15-16H,1-3H3,(H2,29,31)
InChIKeyVIGIHCYPDLYOPI-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.87
Rot. Bonds5

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

2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile (PubChem CID 90682903) has the molecular formula C27H23N7O and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile
PubChem CID90682903
Molecular FormulaC27H23N7O
Molecular Weight461.53 g/mol
Exact Mass461.20
IUPAC Name2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c(C)nn(-c4ccccc4)c3-n3cnc(C)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C27H23N7O/c1-17-15-33(16-30-17)27-25(18(2)32-34(27)20-7-5-4-6-8-20)22-13-24(31-26(29)23(22)14-28)19-9-11-21(35-3)12-10-19/h4-13,15-16H,1-3H3,(H2,29,31)
InChIKeyVIGIHCYPDLYOPI-UHFFFAOYSA-N
XLogP4.87
TPSA107.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile (CID 90682903) is 2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3c(C)nn(-c4ccccc4)c3-n3cnc(C)c3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile?
The InChIKey is VIGIHCYPDLYOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O/c1-17-15-33(16-30-17)27-25(18(2)32-34(27)20-7-5-4-6-8-20)22-13-24(31-26(29)23(22)14-28)19-9-11-21(35-3)12-10-19/h4-13,15-16H,1-3H3,(H2,29,31).
What are the key properties of 2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile?
2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile has a molecular weight of 461.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methoxyphenyl)-4-[3-methyl-5-(4-methylimidazol-1-yl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 90682903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).