3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide

C26H21N7O2 — CID 54578936

IUPAC3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C(N)=O)c3)cc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H21N7O2/c1-16-4-2-7-22(30-16)25-20(17-8-9-21-23(13-17)29-11-10-28-21)14-33(32-25)15-24(34)31-19-6-3-5-18(12-19)26(27)35/h2-14H,15H2,1H3,(H2,27,35)(H,31,34)
InChIKeyZXFLHWGRGDRNJD-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.60
Rot. Bonds6

About 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide

3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide (PubChem CID 54578936) has the molecular formula C26H21N7O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide
PubChem CID54578936
Molecular FormulaC26H21N7O2
Molecular Weight463.50 g/mol
Exact Mass463.18
IUPAC Name3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C(N)=O)c3)cc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H21N7O2/c1-16-4-2-7-22(30-16)25-20(17-8-9-21-23(13-17)29-11-10-28-21)14-33(32-25)15-24(34)31-19-6-3-5-18(12-19)26(27)35/h2-14H,15H2,1H3,(H2,27,35)(H,31,34)
InChIKeyZXFLHWGRGDRNJD-UHFFFAOYSA-N
XLogP3.60
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide (CID 54578936) is 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide is Cc1cccc(-c2nn(CC(=O)Nc3cccc(C(N)=O)c3)cc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide?
The InChIKey is ZXFLHWGRGDRNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O2/c1-16-4-2-7-22(30-16)25-20(17-8-9-21-23(13-17)29-11-10-28-21)14-33(32-25)15-24(34)31-19-6-3-5-18(12-19)26(27)35/h2-14H,15H2,1H3,(H2,27,35)(H,31,34).
What are the key properties of 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide?
3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide has a molecular weight of 463.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 54578936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).