morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C18H15F3N4O2 — CID 1004815

IUPACmorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCOCC1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)15-10-14(12-4-2-1-3-5-12)23-16-13(11-22-25(15)16)17(26)24-6-8-27-9-7-24/h1-5,10-11H,6-9H2
InChIKeyVMIRXFZOESFYDS-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.89
Rot. Bonds2

About morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 1004815) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID1004815
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Namemorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCOCC1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)15-10-14(12-4-2-1-3-5-12)23-16-13(11-22-25(15)16)17(26)24-6-8-27-9-7-24/h1-5,10-11H,6-9H2
InChIKeyVMIRXFZOESFYDS-UHFFFAOYSA-N
XLogP2.89
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Selitrectinib
CID 129103609
GSK-3|A inhibitor 13
CID 134551592
7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975267
7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
CU-CPT-8m
CID 15042086
1-(2-fluoroethyl)-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606131
1-methyl-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606304
N-(2-methoxyethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 66964555
US10774086, Example 17
CID 134551553
US10774086, Example 13
CID 134551589
US10774086, Example 25
CID 134551606
US10774086, Example 18
CID 134551945

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 1004815) is morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is VMIRXFZOESFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)15-10-14(12-4-2-1-3-5-12)23-16-13(11-22-25(15)16)17(26)24-6-8-27-9-7-24/h1-5,10-11H,6-9H2.
What are the key properties of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 376.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 1004815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).