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

C15H16FN7 — CID 25171663

IUPAC2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SMILESCc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1
InChIInChI=1S/C15H16FN7/c1-9-5-13(23-22-9)20-15-8-17-7-14(21-15)19-10(2)12-4-3-11(16)6-18-12/h3-8,10H,1-2H3,(H3,19,20,21,22,23)/t10-/m0/s1
InChIKeyKTPAQUKUOMIFDN-JTQLQIEISA-N
MW313.34 g/mol
LogP2.96
Rot. Bonds5

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

2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine (PubChem CID 25171663) has the molecular formula C15H16FN7 and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
PubChem CID25171663
Molecular FormulaC15H16FN7
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SMILESCc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1
InChIInChI=1S/C15H16FN7/c1-9-5-13(23-22-9)20-15-8-17-7-14(21-15)19-10(2)12-4-3-11(16)6-18-12/h3-8,10H,1-2H3,(H3,19,20,21,22,23)/t10-/m0/s1
InChIKeyKTPAQUKUOMIFDN-JTQLQIEISA-N
XLogP2.96
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine (CID 25171663) is 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine is Cc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The InChIKey is KTPAQUKUOMIFDN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN7/c1-9-5-13(23-22-9)20-15-8-17-7-14(21-15)19-10(2)12-4-3-11(16)6-18-12/h3-8,10H,1-2H3,(H3,19,20,21,22,23)/t10-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine has a molecular weight of 313.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 25171663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).