(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

C22H26F3N5O2 — CID 46955675

IUPAC(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCCc1onc(C)c1C(=O)N1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C22H26F3N5O2/c1-5-17-20(13(4)28-32-17)21(31)29-8-6-14(7-9-29)16-11-19-26-15(12(2)3)10-18(22(23,24)25)30(19)27-16/h10-12,14H,5-9H2,1-4H3
InChIKeyXTAPIQPJZPJPON-UHFFFAOYSA-N
MW449.48 g/mol
LogP4.75
Rot. Bonds4

About (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 46955675) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID46955675
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC Name(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCCc1onc(C)c1C(=O)N1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C22H26F3N5O2/c1-5-17-20(13(4)28-32-17)21(31)29-8-6-14(7-9-29)16-11-19-26-15(12(2)3)10-18(22(23,24)25)30(19)27-16/h10-12,14H,5-9H2,1-4H3
InChIKeyXTAPIQPJZPJPON-UHFFFAOYSA-N
XLogP4.75
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-2-{[2-(3,5-dimethyl-4-isoxazolyl)-1-pyrrolidinyl]carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46366283
5-Cyclopropyl-2-{[2-(5-ethyl-3-methyl-4-isoxazolyl)-1-pyrrolidinyl]carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46366309
N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56885678
2-(3,5-Dimethyl-1,2-oxazol-4-YL)-1-(4-{pyrazolo[1,5-A]pyrimidin-5-YL}piperidin-1-YL)ethanone
CID 110132853
6-[1-(3-Isopropyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-YL]-4-(trifluoromethyl)-1H-pyrazolo[3,4-B]pyridin-3-amine
CID 92631784
US11186582, Example 429
CID 118472648
3-(3,5-dimethylisoxazol-4-yl)-1-(2-methyl-8,9-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)propan-1-one
CID 86265286
4-Methyl-11-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7-tetraene
CID 86265288
[4-(3-Cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 134801911
1-(3,5-Dimethyl-1,2-oxazole-4-carbonyl)-4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]piperidine
CID 95849264
5-Methyl-3-{1-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-4-yl}-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 110233574
3-{1-[7-(Difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-4-yl}-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 110233580

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 46955675) is (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is CCc1onc(C)c1C(=O)N1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is XTAPIQPJZPJPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-5-17-20(13(4)28-32-17)21(31)29-8-6-14(7-9-29)16-11-19-26-15(12(2)3)10-18(22(23,24)25)30(19)27-16/h10-12,14H,5-9H2,1-4H3.
What are the key properties of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 449.48 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46955675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).