6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C15H17BrFN7 — CID 74832210

IUPAC6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2c(F)nn3c(N)c(Br)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C15H17BrFN7/c1-23-7-9(6-20-23)10-13(17)22-24-14(18)11(16)12(21-15(10)24)8-3-2-4-19-5-8/h6-8,19H,2-5,18H2,1H3
InChIKeyJTSDNWUKUDOGET-UHFFFAOYSA-N
MW394.25 g/mol
LogP2.08
Rot. Bonds2

About 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 74832210) has the molecular formula C15H17BrFN7 and a molecular weight of 394.25 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID74832210
Molecular FormulaC15H17BrFN7
Molecular Weight394.25 g/mol
Exact Mass393.07
IUPAC Name6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2c(F)nn3c(N)c(Br)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C15H17BrFN7/c1-23-7-9(6-20-23)10-13(17)22-24-14(18)11(16)12(21-15(10)24)8-3-2-4-19-5-8/h6-8,19H,2-5,18H2,1H3
InChIKeyJTSDNWUKUDOGET-UHFFFAOYSA-N
XLogP2.08
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 74832210) is 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2c(F)nn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.
What is the InChIKey of 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JTSDNWUKUDOGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN7/c1-23-7-9(6-20-23)10-13(17)22-24-14(18)11(16)12(21-15(10)24)8-3-2-4-19-5-8/h6-8,19H,2-5,18H2,1H3.
What are the key properties of 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 394.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 74832210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).