6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine

C16H18FN7 — CID 25172086

IUPAC6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)cnc2C)n[nH]1
InChIInChI=1S/C16H18FN7/c1-9-6-14(24-23-9)21-16-11(3)18-8-15(22-16)20-10(2)13-5-4-12(17)7-19-13/h4-8,10H,1-3H3,(H3,20,21,22,23,24)/t10-/m0/s1
InChIKeyOGOUUWVUPLCXQA-JTQLQIEISA-N
MW327.37 g/mol
LogP3.27
Rot. Bonds5

About 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine

6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine (PubChem CID 25172086) has the molecular formula C16H18FN7 and a molecular weight of 327.37 g/mol. Its IUPAC name is 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
PubChem CID25172086
Molecular FormulaC16H18FN7
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)cnc2C)n[nH]1
InChIInChI=1S/C16H18FN7/c1-9-6-14(24-23-9)21-16-11(3)18-8-15(22-16)20-10(2)13-5-4-12(17)7-19-13/h4-8,10H,1-3H3,(H3,20,21,22,23,24)/t10-/m0/s1
InChIKeyOGOUUWVUPLCXQA-JTQLQIEISA-N
XLogP3.27
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine (CID 25172086) is 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine is Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)cnc2C)n[nH]1.
What is the InChIKey of 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The InChIKey is OGOUUWVUPLCXQA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18FN7/c1-9-6-14(24-23-9)21-16-11(3)18-8-15(22-16)20-10(2)13-5-4-12(17)7-19-13/h4-8,10H,1-3H3,(H3,20,21,22,23,24)/t10-/m0/s1.
What are the key properties of 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine has a molecular weight of 327.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 25172086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).