5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H15FN6 — CID 121366924

IUPAC5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(N)c1cc(N)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1
InChIInChI=1S/C17H15FN6/c1-9(19)15-6-16(20)24-17(23-15)13(8-22-24)11-4-10-5-12(18)2-3-14(10)21-7-11/h2-9H,19-20H2,1H3
InChIKeyAMTGZERVRJDFTP-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.69
Rot. Bonds2

About 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 121366924) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID121366924
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(N)c1cc(N)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1
InChIInChI=1S/C17H15FN6/c1-9(19)15-6-16(20)24-17(23-15)13(8-22-24)11-4-10-5-12(18)2-3-14(10)21-7-11/h2-9H,19-20H2,1H3
InChIKeyAMTGZERVRJDFTP-UHFFFAOYSA-N
XLogP2.69
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 121366924) is 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(N)c1cc(N)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1.
What is the InChIKey of 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AMTGZERVRJDFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6/c1-9(19)15-6-16(20)24-17(23-15)13(8-22-24)11-4-10-5-12(18)2-3-14(10)21-7-11/h2-9H,19-20H2,1H3.
What are the key properties of 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 322.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 121366924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).