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

C17H20FN7O — CID 25171877

IUPAC2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine
SMILESCC(C)Oc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1
InChIInChI=1S/C17H20FN7O/c1-10(2)26-17-6-14(24-25-17)22-16-9-19-8-15(23-16)21-11(3)13-5-4-12(18)7-20-13/h4-11H,1-3H3,(H3,21,22,23,24,25)/t11-/m0/s1
InChIKeyNGMZLWDETZHMAI-NSHDSACASA-N
MW357.39 g/mol
LogP3.44
Rot. Bonds7

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

2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine (PubChem CID 25171877) has the molecular formula C17H20FN7O and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine
PubChem CID25171877
Molecular FormulaC17H20FN7O
Molecular Weight357.39 g/mol
Exact Mass357.17
IUPAC Name2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine
SMILESCC(C)Oc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1
InChIInChI=1S/C17H20FN7O/c1-10(2)26-17-6-14(24-25-17)22-16-9-19-8-15(23-16)21-11(3)13-5-4-12(18)7-20-13/h4-11H,1-3H3,(H3,21,22,23,24,25)/t11-/m0/s1
InChIKeyNGMZLWDETZHMAI-NSHDSACASA-N
XLogP3.44
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine (CID 25171877) is 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine is CC(C)Oc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine?
The InChIKey is NGMZLWDETZHMAI-NSHDSACASA-N. The full InChI is InChI=1S/C17H20FN7O/c1-10(2)26-17-6-14(24-25-17)22-16-9-19-8-15(23-16)21-11(3)13-5-4-12(18)7-20-13/h4-11H,1-3H3,(H3,21,22,23,24,25)/t11-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine?
2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine has a molecular weight of 357.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 25171877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).