3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

C20H23FN4 — CID 46299110

IUPAC3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H23FN4/c1-13-8-10-24(11-9-13)18-12-14(2)22-20-19(15(3)23-25(18)20)16-4-6-17(21)7-5-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyOYUMHDXXDPXMLY-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.39
Rot. Bonds2

About 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 46299110) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID46299110
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H23FN4/c1-13-8-10-24(11-9-13)18-12-14(2)22-20-19(15(3)23-25(18)20)16-4-6-17(21)7-5-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyOYUMHDXXDPXMLY-UHFFFAOYSA-N
XLogP4.39
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Enmd-2076
CID 16041424
R121919
CID 9821250
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
(R)-Zinc-3573
CID 95882507
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
3MB-PP1
CID 24865390
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 46299110) is 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OYUMHDXXDPXMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c1-13-8-10-24(11-9-13)18-12-14(2)22-20-19(15(3)23-25(18)20)16-4-6-17(21)7-5-16/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 338.43 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).