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

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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).