2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol

C22H15FN4O — CID 90998578

IUPAC2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
SMILESCc1cc(-c2cnc3ccccc3c2)nc2c(-c3ccc(O)c(F)c3)cnn12
InChIInChI=1S/C22H15FN4O/c1-13-8-20(16-9-15-4-2-3-5-19(15)24-11-16)26-22-17(12-25-27(13)22)14-6-7-21(28)18(23)10-14/h2-12,28H,1H3
InChIKeyUOYUBALSHGHMHB-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.76
Rot. Bonds2

About 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol

2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol (PubChem CID 90998578) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
PubChem CID90998578
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
SMILESCc1cc(-c2cnc3ccccc3c2)nc2c(-c3ccc(O)c(F)c3)cnn12
InChIInChI=1S/C22H15FN4O/c1-13-8-20(16-9-15-4-2-3-5-19(15)24-11-16)26-22-17(12-25-27(13)22)14-6-7-21(28)18(23)10-14/h2-12,28H,1H3
InChIKeyUOYUBALSHGHMHB-UHFFFAOYSA-N
XLogP4.76
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Phtpp
CID 11201035
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
ML347
CID 44577753
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
3-[7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880138
2-fluoro-5-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880217
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
4-[6-Hydroxy-3-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-2(1H)-ylidene]cyclohexa-2,5-dien-1-one
CID 135678114

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
The IUPAC name of 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol (CID 90998578) is 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
The canonical SMILES for 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol is Cc1cc(-c2cnc3ccccc3c2)nc2c(-c3ccc(O)c(F)c3)cnn12.
What is the InChIKey of 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
The InChIKey is UOYUBALSHGHMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c1-13-8-20(16-9-15-4-2-3-5-19(15)24-11-16)26-22-17(12-25-27(13)22)14-6-7-21(28)18(23)10-14/h2-12,28H,1H3.
What are the key properties of 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol has a molecular weight of 370.39 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol is sourced from PubChem (CID 90998578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).