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

C21H22FN7O — CID 118294745

IUPAC5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2CCN(C)CC2)c(F)cc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C21H22FN7O/c1-29-5-3-13(4-6-29)15-8-19(30-2)16(7-17(15)22)18-9-20(28-27-18)26-21-12-24-14(10-23)11-25-21/h7-9,11-13H,3-6H2,1-2H3,(H2,25,26,27,28)
InChIKeyIAKWLPHKEVBOBJ-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.44
Rot. Bonds5

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

5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 118294745) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is 5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID118294745
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2CCN(C)CC2)c(F)cc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C21H22FN7O/c1-29-5-3-13(4-6-29)15-8-19(30-2)16(7-17(15)22)18-9-20(28-27-18)26-21-12-24-14(10-23)11-25-21/h7-9,11-13H,3-6H2,1-2H3,(H2,25,26,27,28)
InChIKeyIAKWLPHKEVBOBJ-UHFFFAOYSA-N
XLogP3.44
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-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-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 118294745) is 5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(C2CCN(C)CC2)c(F)cc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.
What is the InChIKey of 5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is IAKWLPHKEVBOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-29-5-3-13(4-6-29)15-8-19(30-2)16(7-17(15)22)18-9-20(28-27-18)26-21-12-24-14(10-23)11-25-21/h7-9,11-13H,3-6H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 407.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[5-fluoro-2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 118294745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).