4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C18H19FN4O — CID 648803

IUPAC4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(N2CCOCC2)c1C
InChIInChI=1S/C18H19FN4O/c1-12-13(2)20-17-11-16(14-4-3-5-15(19)10-14)21-23(17)18(12)22-6-8-24-9-7-22/h3-5,10-11H,6-9H2,1-2H3
InChIKeyRLJNSPQTLXHHDI-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.99
Rot. Bonds2

About 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 648803) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID648803
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(N2CCOCC2)c1C
InChIInChI=1S/C18H19FN4O/c1-12-13(2)20-17-11-16(14-4-3-5-15(19)10-14)21-23(17)18(12)22-6-8-24-9-7-22/h3-5,10-11H,6-9H2,1-2H3
InChIKeyRLJNSPQTLXHHDI-UHFFFAOYSA-N
XLogP2.99
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Apy0201
CID 56927660
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
Bay-41-8543
CID 9953906
1,2,4-Triazolo(3,4-a)phthalazine, 6-(4-morpholinyl)-3-phenyl-
CID 3071186
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
6-{2-Amino-6-[(3r)-3-Methylmorpholin-4-Yl]pyrimidin-4-Yl}-2h-Indazol-3-Amine
CID 46215988
3-[(3-Fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426224
2-methyl-3-N-[2-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 121426227
4-(3-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1950294
4-[2-[(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine
CID 2990846
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 648803) is 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCOCC2)c1C.
What is the InChIKey of 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is RLJNSPQTLXHHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-12-13(2)20-17-11-16(14-4-3-5-15(19)10-14)21-23(17)18(12)22-6-8-24-9-7-22/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 326.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 648803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).