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

C17H16FN7O — CID 45486168

IUPAC3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2nc(O[C@@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1
InChIInChI=1S/C17H16FN7O/c1-9-6-15(25-24-9)22-16-10(2)21-14(7-19)17(23-16)26-11(3)13-5-4-12(18)8-20-13/h4-6,8,11H,1-3H3,(H2,22,23,24,25)/t11-/m0/s1
InChIKeyNUUZIPNBPALDNV-NSHDSACASA-N
MW353.36 g/mol
LogP3.11
Rot. Bonds5

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

3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 45486168) has the molecular formula C17H16FN7O and a molecular weight of 353.36 g/mol. Its IUPAC name is 3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID45486168
Molecular FormulaC17H16FN7O
Molecular Weight353.36 g/mol
Exact Mass353.14
IUPAC Name3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2nc(O[C@@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1
InChIInChI=1S/C17H16FN7O/c1-9-6-15(25-24-9)22-16-10(2)21-14(7-19)17(23-16)26-11(3)13-5-4-12(18)8-20-13/h4-6,8,11H,1-3H3,(H2,22,23,24,25)/t11-/m0/s1
InChIKeyNUUZIPNBPALDNV-NSHDSACASA-N
XLogP3.11
TPSA112.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (CID 45486168) is 3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is Cc1cc(Nc2nc(O[C@@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1.
What is the InChIKey of 3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is NUUZIPNBPALDNV-NSHDSACASA-N. The full InChI is InChI=1S/C17H16FN7O/c1-9-6-15(25-24-9)22-16-10(2)21-14(7-19)17(23-16)26-11(3)13-5-4-12(18)8-20-13/h4-6,8,11H,1-3H3,(H2,22,23,24,25)/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 353.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 45486168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).