3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

C17H17FN8 — CID 45486157

IUPAC3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2nc(N[C@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1
InChIInChI=1S/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/m1/s1
InChIKeyFLYNZEXUURBXAW-SNVBAGLBSA-N
MW352.38 g/mol
LogP3.14
Rot. Bonds5

About 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 45486157) has the molecular formula C17H17FN8 and a molecular weight of 352.38 g/mol. Its IUPAC name is 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID45486157
Molecular FormulaC17H17FN8
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2nc(N[C@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1
InChIInChI=1S/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/m1/s1
InChIKeyFLYNZEXUURBXAW-SNVBAGLBSA-N
XLogP3.14
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (CID 45486157) is 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is Cc1cc(Nc2nc(N[C@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1.
What is the InChIKey of 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is FLYNZEXUURBXAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/m1/s1.
What are the key properties of 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 352.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 45486157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).