[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride

C17H17Cl2FN6 — CID 168885126

IUPAC[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2cn3nccc3c(-c3ccc(CN)c(F)c3)n2)cn1
InChIInChI=1S/C17H15FN6.2ClH/c1-23-9-13(8-21-23)15-10-24-16(4-5-20-24)17(22-15)11-2-3-12(7-19)14(18)6-11;;/h2-6,8-10H,7,19H2,1H3;2*1H
InChIKeyIUJIVKLTBFHCGK-UHFFFAOYSA-N
MW395.27 g/mol
LogP3.24
Rot. Bonds3

About [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride

[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride (PubChem CID 168885126) has the molecular formula C17H17Cl2FN6 and a molecular weight of 395.27 g/mol. Its IUPAC name is [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride
PubChem CID168885126
Molecular FormulaC17H17Cl2FN6
Molecular Weight395.27 g/mol
Exact Mass394.09
IUPAC Name[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2cn3nccc3c(-c3ccc(CN)c(F)c3)n2)cn1
InChIInChI=1S/C17H15FN6.2ClH/c1-23-9-13(8-21-23)15-10-24-16(4-5-20-24)17(22-15)11-2-3-12(7-19)14(18)6-11;;/h2-6,8-10H,7,19H2,1H3;2*1H
InChIKeyIUJIVKLTBFHCGK-UHFFFAOYSA-N
XLogP3.24
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride?
The IUPAC name of [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride (CID 168885126) is [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride?
The canonical SMILES for [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride is Cl.Cl.Cn1cc(-c2cn3nccc3c(-c3ccc(CN)c(F)c3)n2)cn1.
What is the InChIKey of [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride?
The InChIKey is IUJIVKLTBFHCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6.2ClH/c1-23-9-13(8-21-23)15-10-24-16(4-5-20-24)17(22-15)11-2-3-12(7-19)14(18)6-11;;/h2-6,8-10H,7,19H2,1H3;2*1H.
What are the key properties of [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride?
[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride has a molecular weight of 395.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 168885126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).