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

C18H19FN4O — CID 163312558

IUPAC4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine
SMILESCc1nc2ccnn2c(N2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C18H19FN4O/c1-12-13(2)21-17-7-8-20-23(17)18(12)22-9-10-24-16(11-22)14-3-5-15(19)6-4-14/h3-8,16H,9-11H2,1-2H3
InChIKeyUAIJKFCZGPSCLF-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.06
Rot. Bonds2

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

4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine (PubChem CID 163312558) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine
PubChem CID163312558
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine
SMILESCc1nc2ccnn2c(N2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C18H19FN4O/c1-12-13(2)21-17-7-8-20-23(17)18(12)22-9-10-24-16(11-22)14-3-5-15(19)6-4-14/h3-8,16H,9-11H2,1-2H3
InChIKeyUAIJKFCZGPSCLF-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine
CID 56877170
4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine
CID 133290851
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
(2R)-4-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-fluorophenyl)phenyl]morpholine
CID 155405578
(2R)-4-tert-butyl-2-(4-fluorophenyl)morpholine
CID 67354572
methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47023080
2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013885
(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 36726848
(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 95557093
2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 47983335
9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 163310299

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine (CID 163312558) is 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine is Cc1nc2ccnn2c(N2CCOC(c3ccc(F)cc3)C2)c1C.
What is the InChIKey of 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine?
The InChIKey is UAIJKFCZGPSCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-12-13(2)21-17-7-8-20-23(17)18(12)22-9-10-24-16(11-22)14-3-5-15(19)6-4-14/h3-8,16H,9-11H2,1-2H3.
What are the key properties of 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine?
4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine has a molecular weight of 326.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 163312558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).