3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine

C16H12F2N8 — CID 175278906

IUPAC3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine
SMILESNc1cc(-c2cc(N)n(-c3ncccc3F)n2)nn1-c1ncccc1F
InChIInChI=1S/C16H12F2N8/c17-9-3-1-5-21-15(9)25-13(19)7-11(23-25)12-8-14(20)26(24-12)16-10(18)4-2-6-22-16/h1-8H,19-20H2
InChIKeyHJFBROHKBCOTCI-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.96
Rot. Bonds3

About 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine

3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine (PubChem CID 175278906) has the molecular formula C16H12F2N8 and a molecular weight of 354.32 g/mol. Its IUPAC name is 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine
PubChem CID175278906
Molecular FormulaC16H12F2N8
Molecular Weight354.32 g/mol
Exact Mass354.12
IUPAC Name3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine
SMILESNc1cc(-c2cc(N)n(-c3ncccc3F)n2)nn1-c1ncccc1F
InChIInChI=1S/C16H12F2N8/c17-9-3-1-5-21-15(9)25-13(19)7-11(23-25)12-8-14(20)26(24-12)16-10(18)4-2-6-22-16/h1-8H,19-20H2
InChIKeyHJFBROHKBCOTCI-UHFFFAOYSA-N
XLogP1.96
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine?
The IUPAC name of 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine (CID 175278906) is 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine.
What is the SMILES notation for 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine?
The canonical SMILES for 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine is Nc1cc(-c2cc(N)n(-c3ncccc3F)n2)nn1-c1ncccc1F.
What is the InChIKey of 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine?
The InChIKey is HJFBROHKBCOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N8/c17-9-3-1-5-21-15(9)25-13(19)7-11(23-25)12-8-14(20)26(24-12)16-10(18)4-2-6-22-16/h1-8H,19-20H2.
What are the key properties of 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine?
3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine has a molecular weight of 354.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)pyrazol-5-amine is sourced from PubChem (CID 175278906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).