4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile

C19H17FN6O2 — CID 155816411

IUPAC4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCC1=NN(c2nc(-c3ccc(F)cc3)c(C#N)c(N3CCOCC3)n2)C(=O)C1
InChIInChI=1S/C19H17FN6O2/c1-12-10-16(27)26(24-12)19-22-17(13-2-4-14(20)5-3-13)15(11-21)18(23-19)25-6-8-28-9-7-25/h2-5H,6-10H2,1H3
InChIKeyZEPDUQLDQRTKNW-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.10
Rot. Bonds3

About 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile

4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile (PubChem CID 155816411) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile
PubChem CID155816411
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCC1=NN(c2nc(-c3ccc(F)cc3)c(C#N)c(N3CCOCC3)n2)C(=O)C1
InChIInChI=1S/C19H17FN6O2/c1-12-10-16(27)26(24-12)19-22-17(13-2-4-14(20)5-3-13)15(11-21)18(23-19)25-6-8-28-9-7-25/h2-5H,6-10H2,1H3
InChIKeyZEPDUQLDQRTKNW-UHFFFAOYSA-N
XLogP2.10
TPSA94.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile (CID 155816411) is 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile is CC1=NN(c2nc(-c3ccc(F)cc3)c(C#N)c(N3CCOCC3)n2)C(=O)C1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The InChIKey is ZEPDUQLDQRTKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-12-10-16(27)26(24-12)19-22-17(13-2-4-14(20)5-3-13)15(11-21)18(23-19)25-6-8-28-9-7-25/h2-5H,6-10H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile?
4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile has a molecular weight of 380.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 155816411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).