2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide

C22H21N7O — CID 161366452

IUPAC2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
SMILESCc1ccc(-c2c(C)nn(CC(=O)Nc3ccc(-c4cncnc4)cn3)c2C)cn1
InChIInChI=1S/C22H21N7O/c1-14-4-5-18(11-25-14)22-15(2)28-29(16(22)3)12-21(30)27-20-7-6-17(10-26-20)19-8-23-13-24-9-19/h4-11,13H,12H2,1-3H3,(H,26,27,30)
InChIKeyXZRAJMOXNLSGDP-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.36
Rot. Bonds5

About 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide

2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide (PubChem CID 161366452) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
PubChem CID161366452
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
SMILESCc1ccc(-c2c(C)nn(CC(=O)Nc3ccc(-c4cncnc4)cn3)c2C)cn1
InChIInChI=1S/C22H21N7O/c1-14-4-5-18(11-25-14)22-15(2)28-29(16(22)3)12-21(30)27-20-7-6-17(10-26-20)19-8-23-13-24-9-19/h4-11,13H,12H2,1-3H3,(H,26,27,30)
InChIKeyXZRAJMOXNLSGDP-UHFFFAOYSA-N
XLogP3.36
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide with MolForge

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Related Compounds

2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280404
N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 167075049
5-(6-methyl-3-pyridinyl)pyrimidine
CID 88985866
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 140941281
2-[3-methyl-4-[(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-3-yl]pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 130468714
tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121273663
2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-[5-[(E)-hept-3-en-4-yl]-2-pyridinyl]acetamide
CID 167075120
2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46991343
2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
CID 46983725
2-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
CID 46983889
N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide
CID 139308555
N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 139308197

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide (CID 161366452) is 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide is Cc1ccc(-c2c(C)nn(CC(=O)Nc3ccc(-c4cncnc4)cn3)c2C)cn1.
What is the InChIKey of 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The InChIKey is XZRAJMOXNLSGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-14-4-5-18(11-25-14)22-15(2)28-29(16(22)3)12-21(30)27-20-7-6-17(10-26-20)19-8-23-13-24-9-19/h4-11,13H,12H2,1-3H3,(H,26,27,30).
What are the key properties of 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide has a molecular weight of 399.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 161366452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).