7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C10H10FN5 — CID 52950370

IUPAC7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(NCC[18F])n2ncc(C#N)c2n1
InChIInChI=1S/C10H10FN5/c1-7-4-9(13-3-2-11)16-10(15-7)8(5-12)6-14-16/h4,6,13H,2-3H2,1H3/i11-1
InChIKeySSLYZBHFIPUSPF-KXMUYVCJSA-N
MW218.23 g/mol
LogP1.29
Rot. Bonds3

About 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 52950370) has the molecular formula C10H10FN5 and a molecular weight of 218.23 g/mol. Its IUPAC name is 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID52950370
Molecular FormulaC10H10FN5
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(NCC[18F])n2ncc(C#N)c2n1
InChIInChI=1S/C10H10FN5/c1-7-4-9(13-3-2-11)16-10(15-7)8(5-12)6-14-16/h4,6,13H,2-3H2,1H3/i11-1
InChIKeySSLYZBHFIPUSPF-KXMUYVCJSA-N
XLogP1.29
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 52950370) is 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(NCC[18F])n2ncc(C#N)c2n1.
What is the InChIKey of 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is SSLYZBHFIPUSPF-KXMUYVCJSA-N. The full InChI is InChI=1S/C10H10FN5/c1-7-4-9(13-3-2-11)16-10(15-7)8(5-12)6-14-16/h4,6,13H,2-3H2,1H3/i11-1.
What are the key properties of 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 218.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 52950370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).