2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide

C27H23N5O2 — CID 54585425

IUPAC2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCOc1ccnc2ccc(-c3cn(CC(=O)Nc4ccccc4)nc3-c3cccc(C)n3)cc12
InChIInChI=1S/C27H23N5O2/c1-18-7-6-10-24(29-18)27-22(19-11-12-23-21(15-19)25(34-2)13-14-28-23)16-32(31-27)17-26(33)30-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,30,33)
InChIKeyLNUASTFNUJTEQI-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.12
Rot. Bonds6

About 2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide

2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide (PubChem CID 54585425) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
PubChem CID54585425
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCOc1ccnc2ccc(-c3cn(CC(=O)Nc4ccccc4)nc3-c3cccc(C)n3)cc12
InChIInChI=1S/C27H23N5O2/c1-18-7-6-10-24(29-18)27-22(19-11-12-23-21(15-19)25(34-2)13-14-28-23)16-32(31-27)17-26(33)30-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,30,33)
InChIKeyLNUASTFNUJTEQI-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide (CID 54585425) is 2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide is COc1ccnc2ccc(-c3cn(CC(=O)Nc4ccccc4)nc3-c3cccc(C)n3)cc12.
What is the InChIKey of 2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is LNUASTFNUJTEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-18-7-6-10-24(29-18)27-22(19-11-12-23-21(15-19)25(34-2)13-14-28-23)16-32(31-27)17-26(33)30-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,30,33).
What are the key properties of 2-[4-(4-methoxyquinolin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
2-[4-(4-methoxyquinolin-6-yl)-3-(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)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 54585425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).