3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide

C26H21N5O — CID 46907144

IUPAC3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide
SMILESCc1cccc(-c2c(-c3ccc4ncccc4c3)cnn2Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C26H21N5O/c1-17-5-2-9-24(30-17)25-22(19-10-11-23-20(14-19)8-4-12-28-23)15-29-31(25)16-18-6-3-7-21(13-18)26(27)32/h2-15H,16H2,1H3,(H2,27,32)
InChIKeyGJYVTYIBMNTHEV-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.62
Rot. Bonds5

About 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide

3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide (PubChem CID 46907144) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide
PubChem CID46907144
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Name3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide
SMILESCc1cccc(-c2c(-c3ccc4ncccc4c3)cnn2Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C26H21N5O/c1-17-5-2-9-24(30-17)25-22(19-10-11-23-20(14-19)8-4-12-28-23)15-29-31(25)16-18-6-3-7-21(13-18)26(27)32/h2-15H,16H2,1H3,(H2,27,32)
InChIKeyGJYVTYIBMNTHEV-UHFFFAOYSA-N
XLogP4.62
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide?
The IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide (CID 46907144) is 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide is Cc1cccc(-c2c(-c3ccc4ncccc4c3)cnn2Cc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide?
The InChIKey is GJYVTYIBMNTHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-17-5-2-9-24(30-17)25-22(19-10-11-23-20(14-19)8-4-12-28-23)15-29-31(25)16-18-6-3-7-21(13-18)26(27)32/h2-15H,16H2,1H3,(H2,27,32).
What are the key properties of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide?
3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]methyl]benzamide is sourced from PubChem (CID 46907144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).