5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine

C17H18FN7 — CID 118048148

IUPAC5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(CN2CCn3nc(-c4ccc(F)cn4)cc3C2)c(N)n1
InChIInChI=1S/C17H18FN7/c1-11-20-7-12(17(19)22-11)9-24-4-5-25-14(10-24)6-16(23-25)15-3-2-13(18)8-21-15/h2-3,6-8H,4-5,9-10H2,1H3,(H2,19,20,22)
InChIKeyPGQIJBNUCBYEOX-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.78
Rot. Bonds3

About 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine

5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 118048148) has the molecular formula C17H18FN7 and a molecular weight of 339.38 g/mol. Its IUPAC name is 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine
PubChem CID118048148
Molecular FormulaC17H18FN7
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(CN2CCn3nc(-c4ccc(F)cn4)cc3C2)c(N)n1
InChIInChI=1S/C17H18FN7/c1-11-20-7-12(17(19)22-11)9-24-4-5-25-14(10-24)6-16(23-25)15-3-2-13(18)8-21-15/h2-3,6-8H,4-5,9-10H2,1H3,(H2,19,20,22)
InChIKeyPGQIJBNUCBYEOX-UHFFFAOYSA-N
XLogP1.78
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine (CID 118048148) is 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine is Cc1ncc(CN2CCn3nc(-c4ccc(F)cn4)cc3C2)c(N)n1.
What is the InChIKey of 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is PGQIJBNUCBYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7/c1-11-20-7-12(17(19)22-11)9-24-4-5-25-14(10-24)6-16(23-25)15-3-2-13(18)8-21-15/h2-3,6-8H,4-5,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine?
5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 339.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 118048148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).