2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide

C27H23N5O2 — CID 54585426

IUPAC2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCOc1ccnc2ccc(-c3cnn(CC(=O)Nc4ccccc4)c3-c3cccc(C)n3)cc12
InChIInChI=1S/C27H23N5O2/c1-18-7-6-10-24(30-18)27-22(19-11-12-23-21(15-19)25(34-2)13-14-28-23)16-29-32(27)17-26(33)31-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,31,33)
InChIKeyIJIPBYSVWMXNOB-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.12
Rot. Bonds6

About 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide

2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide (PubChem CID 54585426) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
PubChem CID54585426
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCOc1ccnc2ccc(-c3cnn(CC(=O)Nc4ccccc4)c3-c3cccc(C)n3)cc12
InChIInChI=1S/C27H23N5O2/c1-18-7-6-10-24(30-18)27-22(19-11-12-23-21(15-19)25(34-2)13-14-28-23)16-29-32(27)17-26(33)31-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,31,33)
InChIKeyIJIPBYSVWMXNOB-UHFFFAOYSA-N
XLogP5.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-5-[[2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetyl]amino]benzoic acid
CID 163204626
N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048494
2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57396541
N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952230
N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 20952229
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 50752351
N-(4-methoxy-2-methylquinolin-6-yl)-2-[2-[(4-methoxy-2-methylquinolin-6-yl)amino]-2-oxoethoxy]acetamide
CID 44533592
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
2-(2,3-dimethoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309182
N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55878594
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298915

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide (CID 54585426) is 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide is COc1ccnc2ccc(-c3cnn(CC(=O)Nc4ccccc4)c3-c3cccc(C)n3)cc12.
What is the InChIKey of 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is IJIPBYSVWMXNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-18-7-6-10-24(30-18)27-22(19-11-12-23-21(15-19)25(34-2)13-14-28-23)16-29-32(27)17-26(33)31-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,31,33).
What are the key properties of 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide has a molecular weight of 449.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyquinolin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 54585426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).