5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C20H20FN7O — CID 118294660

IUPAC5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2CCNCC2F)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C20H20FN7O/c1-29-18-6-12(14-4-5-23-10-16(14)21)2-3-15(18)17-7-19(28-27-17)26-20-11-24-13(8-22)9-25-20/h2-3,6-7,9,11,14,16,23H,4-5,10H2,1H3,(H2,25,26,27,28)
InChIKeyGLAQEOQNTNNBCE-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.91
Rot. Bonds5

About 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 118294660) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID118294660
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2CCNCC2F)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C20H20FN7O/c1-29-18-6-12(14-4-5-23-10-16(14)21)2-3-15(18)17-7-19(28-27-17)26-20-11-24-13(8-22)9-25-20/h2-3,6-7,9,11,14,16,23H,4-5,10H2,1H3,(H2,25,26,27,28)
InChIKeyGLAQEOQNTNNBCE-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 118294660) is 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(C2CCNCC2F)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.
What is the InChIKey of 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is GLAQEOQNTNNBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-29-18-6-12(14-4-5-23-10-16(14)21)2-3-15(18)17-7-19(28-27-17)26-20-11-24-13(8-22)9-25-20/h2-3,6-7,9,11,14,16,23H,4-5,10H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 393.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(3-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 118294660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).