5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C15H11ClFN7 — CID 137430872

IUPAC5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(F)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C15H11ClFN7/c1-24-3-2-10(23-24)13-12(20-14(17)15(18)21-13)7-4-8-6-19-22-11(8)9(16)5-7/h2-6H,1H3,(H2,18,21)(H,19,22)
InChIKeyDWYOUZJNAITIJF-UHFFFAOYSA-N
MW343.75 g/mol
LogP2.80
Rot. Bonds2

About 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137430872) has the molecular formula C15H11ClFN7 and a molecular weight of 343.75 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137430872
Molecular FormulaC15H11ClFN7
Molecular Weight343.75 g/mol
Exact Mass343.07
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(F)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C15H11ClFN7/c1-24-3-2-10(23-24)13-12(20-14(17)15(18)21-13)7-4-8-6-19-22-11(8)9(16)5-7/h2-6H,1H3,(H2,18,21)(H,19,22)
InChIKeyDWYOUZJNAITIJF-UHFFFAOYSA-N
XLogP2.80
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137430872) is 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(F)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is DWYOUZJNAITIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN7/c1-24-3-2-10(23-24)13-12(20-14(17)15(18)21-13)7-4-8-6-19-22-11(8)9(16)5-7/h2-6H,1H3,(H2,18,21)(H,19,22).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 343.75 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137430872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).