3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H12FN5O — CID 135363207

IUPAC3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCN(C)c1c[nH]n2c(=O)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C13H12FN5O/c1-18(2)11-7-16-19-12(20)4-10(17-13(11)19)8-3-9(14)6-15-5-8/h3-7,16H,1-2H3
InChIKeyFVVWPAWHXCMCCY-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.29
Rot. Bonds2

About 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 135363207) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID135363207
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCN(C)c1c[nH]n2c(=O)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C13H12FN5O/c1-18(2)11-7-16-19-12(20)4-10(17-13(11)19)8-3-9(14)6-15-5-8/h3-7,16H,1-2H3
InChIKeyFVVWPAWHXCMCCY-UHFFFAOYSA-N
XLogP1.29
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925446
6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
CID 130453759
4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802824
(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;sulfane
CID 162037322
2-(5-fluoro-3-pyridinyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 58236205
[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid
CID 67499798
3-(5-fluoro-3-pyridinyl)-1H-pyridazin-6-one
CID 106515794
5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 135376524
N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59333281
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973751
5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308877

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 135363207) is 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CN(C)c1c[nH]n2c(=O)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FVVWPAWHXCMCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-18(2)11-7-16-19-12(20)4-10(17-13(11)19)8-3-9(14)6-15-5-8/h3-7,16H,1-2H3.
What are the key properties of 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 273.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135363207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).