N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide

C26H19N7O — CID 54770208

IUPACN-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2c(-c3ccc4nccnc4c3)cnn2CC(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C26H19N7O/c1-17-4-2-7-23(31-17)26-21(19-8-9-22-24(13-19)29-11-10-28-22)15-30-33(26)16-25(34)32-20-6-3-5-18(12-20)14-27/h2-13,15H,16H2,1H3,(H,32,34)
InChIKeyMEFCHFPHRIKGHY-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.37
Rot. Bonds5

About N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide

N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide (PubChem CID 54770208) has the molecular formula C26H19N7O and a molecular weight of 445.49 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide
PubChem CID54770208
Molecular FormulaC26H19N7O
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC NameN-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2c(-c3ccc4nccnc4c3)cnn2CC(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C26H19N7O/c1-17-4-2-7-23(31-17)26-21(19-8-9-22-24(13-19)29-11-10-28-22)15-30-33(26)16-25(34)32-20-6-3-5-18(12-20)14-27/h2-13,15H,16H2,1H3,(H,32,34)
InChIKeyMEFCHFPHRIKGHY-UHFFFAOYSA-N
XLogP4.37
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide (CID 54770208) is N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide is Cc1cccc(-c2c(-c3ccc4nccnc4c3)cnn2CC(=O)Nc2cccc(C#N)c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide?
The InChIKey is MEFCHFPHRIKGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O/c1-17-4-2-7-23(31-17)26-21(19-8-9-22-24(13-19)29-11-10-28-22)15-30-33(26)16-25(34)32-20-6-3-5-18(12-20)14-27/h2-13,15H,16H2,1H3,(H,32,34).
What are the key properties of N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide?
N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide has a molecular weight of 445.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 54770208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).