[6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite

C16H14F2N6O — CID 177358786

IUPAC[6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite
SMILESCC(C)c1cnn2c(Nc3n[nH]c4ccccc34)c(F)c(OF)nc12
InChIInChI=1S/C16H14F2N6O/c1-8(2)10-7-19-24-14(10)21-16(25-18)12(17)15(24)20-13-9-5-3-4-6-11(9)22-23-13/h3-8H,1-2H3,(H2,20,22,23)
InChIKeyFMUCGTYKSBHHTJ-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.88
Rot. Bonds4

About [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite

[6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite (PubChem CID 177358786) has the molecular formula C16H14F2N6O and a molecular weight of 344.33 g/mol. Its IUPAC name is [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite.

Molecular Properties

Compound Name[6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite
PubChem CID177358786
Molecular FormulaC16H14F2N6O
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name[6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite
SMILESCC(C)c1cnn2c(Nc3n[nH]c4ccccc34)c(F)c(OF)nc12
InChIInChI=1S/C16H14F2N6O/c1-8(2)10-7-19-24-14(10)21-16(25-18)12(17)15(24)20-13-9-5-3-4-6-11(9)22-23-13/h3-8H,1-2H3,(H2,20,22,23)
InChIKeyFMUCGTYKSBHHTJ-UHFFFAOYSA-N
XLogP3.88
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite 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-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite?
The IUPAC name of [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite (CID 177358786) is [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite.
What is the SMILES notation for [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite?
The canonical SMILES for [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite is CC(C)c1cnn2c(Nc3n[nH]c4ccccc34)c(F)c(OF)nc12.
What is the InChIKey of [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite?
The InChIKey is FMUCGTYKSBHHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6O/c1-8(2)10-7-19-24-14(10)21-16(25-18)12(17)15(24)20-13-9-5-3-4-6-11(9)22-23-13/h3-8H,1-2H3,(H2,20,22,23).
What are the key properties of [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite?
[6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite has a molecular weight of 344.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite is sourced from PubChem (CID 177358786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).