1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile

C15H14N8O2 — CID 59603561

IUPAC1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile
SMILESN#Cc1cn(-c2c[nH]n(-c3cc(N4CCOCC4)ncn3)c2=O)cn1
InChIInChI=1S/C15H14N8O2/c16-6-11-8-22(10-19-11)12-7-20-23(15(12)24)14-5-13(17-9-18-14)21-1-3-25-4-2-21/h5,7-10,20H,1-4H2
InChIKeyJXAVJNODXVLUJZ-UHFFFAOYSA-N
MW338.33 g/mol
LogP-0.15
Rot. Bonds3

About 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile

1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile (PubChem CID 59603561) has the molecular formula C15H14N8O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile
PubChem CID59603561
Molecular FormulaC15H14N8O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile
SMILESN#Cc1cn(-c2c[nH]n(-c3cc(N4CCOCC4)ncn3)c2=O)cn1
InChIInChI=1S/C15H14N8O2/c16-6-11-8-22(10-19-11)12-7-20-23(15(12)24)14-5-13(17-9-18-14)21-1-3-25-4-2-21/h5,7-10,20H,1-4H2
InChIKeyJXAVJNODXVLUJZ-UHFFFAOYSA-N
XLogP-0.15
TPSA117.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile?
The IUPAC name of 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile (CID 59603561) is 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile.
What is the SMILES notation for 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile?
The canonical SMILES for 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile is N#Cc1cn(-c2c[nH]n(-c3cc(N4CCOCC4)ncn3)c2=O)cn1.
What is the InChIKey of 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile?
The InChIKey is JXAVJNODXVLUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O2/c16-6-11-8-22(10-19-11)12-7-20-23(15(12)24)14-5-13(17-9-18-14)21-1-3-25-4-2-21/h5,7-10,20H,1-4H2.
What are the key properties of 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile?
1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile has a molecular weight of 338.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile is sourced from PubChem (CID 59603561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).