4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol

C21H14FN5O — CID 46944749

IUPAC4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
SMILESNc1cc(-c2cnc3ccccc3c2)nc2c(-c3ccc(O)c(F)c3)cnn12
InChIInChI=1S/C21H14FN5O/c22-16-8-12(5-6-19(16)28)15-11-25-27-20(23)9-18(26-21(15)27)14-7-13-3-1-2-4-17(13)24-10-14/h1-11,28H,23H2
InChIKeyKSASESORNULONT-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.04
Rot. Bonds2

About 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol

4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol (PubChem CID 46944749) has the molecular formula C21H14FN5O and a molecular weight of 371.38 g/mol. Its IUPAC name is 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
PubChem CID46944749
Molecular FormulaC21H14FN5O
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC Name4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
SMILESNc1cc(-c2cnc3ccccc3c2)nc2c(-c3ccc(O)c(F)c3)cnn12
InChIInChI=1S/C21H14FN5O/c22-16-8-12(5-6-19(16)28)15-11-25-27-20(23)9-18(26-21(15)27)14-7-13-3-1-2-4-17(13)24-10-14/h1-11,28H,23H2
InChIKeyKSASESORNULONT-UHFFFAOYSA-N
XLogP4.04
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol?
The IUPAC name of 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol (CID 46944749) is 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol.
What is the SMILES notation for 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol?
The canonical SMILES for 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol is Nc1cc(-c2cnc3ccccc3c2)nc2c(-c3ccc(O)c(F)c3)cnn12.
What is the InChIKey of 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol?
The InChIKey is KSASESORNULONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O/c22-16-8-12(5-6-19(16)28)15-11-25-27-20(23)9-18(26-21(15)27)14-7-13-3-1-2-4-17(13)24-10-14/h1-11,28H,23H2.
What are the key properties of 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol?
4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol has a molecular weight of 371.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol is sourced from PubChem (CID 46944749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).