3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

C16H15FN8 — CID 25171666

IUPAC3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1
InChIInChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1
InChIKeyKJMALBRUCRDMTE-JTQLQIEISA-N
MW338.35 g/mol
LogP2.83
Rot. Bonds5

About 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 25171666) has the molecular formula C16H15FN8 and a molecular weight of 338.35 g/mol. Its IUPAC name is 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID25171666
Molecular FormulaC16H15FN8
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1
InChIInChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1
InChIKeyKJMALBRUCRDMTE-JTQLQIEISA-N
XLogP2.83
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (CID 25171666) is 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1.
What is the InChIKey of 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is KJMALBRUCRDMTE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1.
What are the key properties of 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 338.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 25171666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).