2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone

C22H19F3N6O2 — CID 58207111

IUPAC2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
SMILESO=C(Cc1cc(N2CCOCC2)n2nccc2n1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C22H19F3N6O2/c23-22(24,25)19-6-8-30(28-19)17-3-1-15(2-4-17)18(32)13-16-14-21(29-9-11-33-12-10-29)31-20(27-16)5-7-26-31/h1-8,14H,9-13H2
InChIKeyOSBMDBAIWLJRMN-UHFFFAOYSA-N
MW456.43 g/mol
LogP3.20
Rot. Bonds5

About 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone

2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone (PubChem CID 58207111) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
PubChem CID58207111
Molecular FormulaC22H19F3N6O2
Molecular Weight456.43 g/mol
Exact Mass456.15
IUPAC Name2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
SMILESO=C(Cc1cc(N2CCOCC2)n2nccc2n1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C22H19F3N6O2/c23-22(24,25)19-6-8-30(28-19)17-3-1-15(2-4-17)18(32)13-16-14-21(29-9-11-33-12-10-29)31-20(27-16)5-7-26-31/h1-8,14H,9-13H2
InChIKeyOSBMDBAIWLJRMN-UHFFFAOYSA-N
XLogP3.20
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

US9555022, Example 02.29
CID 54770142
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 25
CID 134551606
[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56669088
1-[(3R)-3-[3-[1-(4-acetylphenyl)triazol-4-yl]-4-aminopyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
CID 137348686
7-(5-Methyl-2-pyrazol-1-yl-imidazo[1,5-b]pyridazin-7-yl)-1-phenyl-heptan-1-one
CID 455586
3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1004815
N-(3-(2-morpholinopyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 24768568
1-[3-[5-(4-Morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
CID 24994202
N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide
CID 44452706
2,6-difluoro-N-[3-[3-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529350
N-(3-(3-(5-morpholinopent-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46879877

Frequently Asked Questions

What is the IUPAC name of 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
The IUPAC name of 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone (CID 58207111) is 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone.
What is the SMILES notation for 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
The canonical SMILES for 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone is O=C(Cc1cc(N2CCOCC2)n2nccc2n1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
The InChIKey is OSBMDBAIWLJRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c23-22(24,25)19-6-8-30(28-19)17-3-1-15(2-4-17)18(32)13-16-14-21(29-9-11-33-12-10-29)31-20(27-16)5-7-26-31/h1-8,14H,9-13H2.
What are the key properties of 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone has a molecular weight of 456.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 58207111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).