5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C20H20FN7O — CID 118294734

IUPAC5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2CCNCC2)c(F)cc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C20H20FN7O/c1-29-18-7-14(12-2-4-23-5-3-12)16(21)6-15(18)17-8-19(28-27-17)26-20-11-24-13(9-22)10-25-20/h6-8,10-12,23H,2-5H2,1H3,(H2,25,26,27,28)
InChIKeyCWIPGCZRPVISAD-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.10
Rot. Bonds5

About 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 118294734) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID118294734
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2CCNCC2)c(F)cc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C20H20FN7O/c1-29-18-7-14(12-2-4-23-5-3-12)16(21)6-15(18)17-8-19(28-27-17)26-20-11-24-13(9-22)10-25-20/h6-8,10-12,23H,2-5H2,1H3,(H2,25,26,27,28)
InChIKeyCWIPGCZRPVISAD-UHFFFAOYSA-N
XLogP3.10
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 118294734) is 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(C2CCNCC2)c(F)cc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.
What is the InChIKey of 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is CWIPGCZRPVISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-29-18-7-14(12-2-4-23-5-3-12)16(21)6-15(18)17-8-19(28-27-17)26-20-11-24-13(9-22)10-25-20/h6-8,10-12,23H,2-5H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 393.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-fluoro-2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 118294734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).