N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide

C20H23N7O2 — CID 25074313

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H23N7O2/c1-13-8-14(2)27(25-13)20-23-18(10-19(24-20)22-15(3)28)16-9-17(12-21-11-16)26-4-6-29-7-5-26/h8-12H,4-7H2,1-3H3,(H,22,23,24,28)
InChIKeyCPUAZCHEZPJRLH-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide (PubChem CID 25074313) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide
PubChem CID25074313
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H23N7O2/c1-13-8-14(2)27(25-13)20-23-18(10-19(24-20)22-15(3)28)16-9-17(12-21-11-16)26-4-6-29-7-5-26/h8-12H,4-7H2,1-3H3,(H,22,23,24,28)
InChIKeyCPUAZCHEZPJRLH-UHFFFAOYSA-N
XLogP2.14
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide (CID 25074313) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cncc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide?
The InChIKey is CPUAZCHEZPJRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-8-14(2)27(25-13)20-23-18(10-19(24-20)22-15(3)28)16-9-17(12-21-11-16)26-4-6-29-7-5-26/h8-12H,4-7H2,1-3H3,(H,22,23,24,28).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25074313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).