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

C20H20FN7O — CID 118294594

IUPAC5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2(F)CCNCC2)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C20H20FN7O/c1-29-17-8-13(20(21)4-6-23-7-5-20)2-3-15(17)16-9-18(28-27-16)26-19-12-24-14(10-22)11-25-19/h2-3,8-9,11-12,23H,4-7H2,1H3,(H2,25,26,27,28)
InChIKeyAJKVGQMQNNMMLE-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.04
Rot. Bonds5

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

5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 118294594) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID118294594
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2(F)CCNCC2)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C20H20FN7O/c1-29-17-8-13(20(21)4-6-23-7-5-20)2-3-15(17)16-9-18(28-27-16)26-19-12-24-14(10-22)11-25-19/h2-3,8-9,11-12,23H,4-7H2,1H3,(H2,25,26,27,28)
InChIKeyAJKVGQMQNNMMLE-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 118294594) is 5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(C2(F)CCNCC2)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.
What is the InChIKey of 5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is AJKVGQMQNNMMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-29-17-8-13(20(21)4-6-23-7-5-20)2-3-15(17)16-9-18(28-27-16)26-19-12-24-14(10-22)11-25-19/h2-3,8-9,11-12,23H,4-7H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 393.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(4-fluoropiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 118294594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).