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Pyrazolylpyrimidine derivative, 14

C20H23N7O2 — CID 25074313

Data last refreshed: (MolForge compound catalog, from PubChem)

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 Pyrazolylpyrimidine derivative, 14

Pyrazolylpyrimidine derivative, 14 (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 NamePyrazolylpyrimidine derivative, 14
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 Pyrazolylpyrimidine derivative, 14?
The IUPAC name of Pyrazolylpyrimidine derivative, 14 (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 Pyrazolylpyrimidine derivative, 14?
The canonical SMILES for Pyrazolylpyrimidine derivative, 14 is CC(=O)Nc1cc(-c2cncc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of Pyrazolylpyrimidine derivative, 14?
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 Pyrazolylpyrimidine derivative, 14?
Pyrazolylpyrimidine derivative, 14 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 Pyrazolylpyrimidine derivative, 14 is sourced from PubChem (CID 25074313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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