ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile

C19H21N7O2 — CID 143659898

IUPACethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile
SMILESCC.N#Cc1cncc(-c2c[nH]n(-c3cc(N4CCOCC4)ncn3)c2=O)c1
InChIInChI=1S/C17H15N7O2.C2H6/c18-7-12-5-13(9-19-8-12)14-10-22-24(17(14)25)16-6-15(20-11-21-16)23-1-3-26-4-2-23;1-2/h5-6,8-11,22H,1-4H2;1-2H3
InChIKeyKJFHMVSEYSZHNL-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.75
Rot. Bonds3

About ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile

ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile (PubChem CID 143659898) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Nameethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile
PubChem CID143659898
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Nameethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile
SMILESCC.N#Cc1cncc(-c2c[nH]n(-c3cc(N4CCOCC4)ncn3)c2=O)c1
InChIInChI=1S/C17H15N7O2.C2H6/c18-7-12-5-13(9-19-8-12)14-10-22-24(17(14)25)16-6-15(20-11-21-16)23-1-3-26-4-2-23;1-2/h5-6,8-11,22H,1-4H2;1-2H3
InChIKeyKJFHMVSEYSZHNL-UHFFFAOYSA-N
XLogP1.75
TPSA112.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46914203
5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile
CID 11947808
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24794806
4-(6-chloro-3-pyridinyl)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one
CID 25073134
2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 68805086
3-(6-piperidin-1-ylpyrimidin-4-yl)-5-pyridin-3-yl-2H-triazol-4-one
CID 25072826
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide
CID 59186933
2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 59280171
5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile
CID 59280209
5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile
CID 68805158
2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 68805377
2-[6-[6-(diethylamino)hexylamino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 68807675

Frequently Asked Questions

What is the IUPAC name of ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile?
The IUPAC name of ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile (CID 143659898) is ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile is CC.N#Cc1cncc(-c2c[nH]n(-c3cc(N4CCOCC4)ncn3)c2=O)c1.
What is the InChIKey of ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile?
The InChIKey is KJFHMVSEYSZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2.C2H6/c18-7-12-5-13(9-19-8-12)14-10-22-24(17(14)25)16-6-15(20-11-21-16)23-1-3-26-4-2-23;1-2/h5-6,8-11,22H,1-4H2;1-2H3.
What are the key properties of ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile?
ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 143659898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).