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

C26H21N5O — CID 46907179

IUPAC3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide
SMILESCc1cccc(-c2cn(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H21N5O/c1-17-5-2-9-24(29-17)22-16-31(15-18-6-3-7-21(13-18)26(27)32)30-25(22)20-10-11-23-19(14-20)8-4-12-28-23/h2-14,16H,15H2,1H3,(H2,27,32)
InChIKeyGVWLWHOUKASNRW-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.62
Rot. Bonds5

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

3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide (PubChem CID 46907179) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide
PubChem CID46907179
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Name3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide
SMILESCc1cccc(-c2cn(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H21N5O/c1-17-5-2-9-24(29-17)22-16-31(15-18-6-3-7-21(13-18)26(27)32)30-25(22)20-10-11-23-19(14-20)8-4-12-28-23/h2-14,16H,15H2,1H3,(H2,27,32)
InChIKeyGVWLWHOUKASNRW-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide?
The IUPAC name of 3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide (CID 46907179) is 3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide is Cc1cccc(-c2cn(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide?
The InChIKey is GVWLWHOUKASNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-17-5-2-9-24(29-17)22-16-31(15-18-6-3-7-21(13-18)26(27)32)30-25(22)20-10-11-23-19(14-20)8-4-12-28-23/h2-14,16H,15H2,1H3,(H2,27,32).
What are the key properties of 3-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide?
3-[[4-(6-methyl-2-pyridinyl)-3-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-[[4-(6-methyl-2-pyridinyl)-3-quinolin-6-ylpyrazol-1-yl]methyl]benzamide is sourced from PubChem (CID 46907179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).