(2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one

C21H24F3N5O2 — CID 95850059

IUPAC(2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
SMILESCCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H](C)n4nccc4C)C3)noc2n1
InChIInChI=1S/C21H24F3N5O2/c1-4-15-10-16(21(22,23)24)17-18(27-31-19(17)26-15)14-6-5-9-28(11-14)20(30)13(3)29-12(2)7-8-25-29/h7-8,10,13-14H,4-6,9,11H2,1-3H3/t13-,14-/m1/s1
InChIKeyWTPKEPNDTSMQGV-ZIAGYGMSSA-N
MW435.45 g/mol
LogP4.28
Rot. Bonds4

About (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one

(2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 95850059) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID95850059
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name(2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
SMILESCCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H](C)n4nccc4C)C3)noc2n1
InChIInChI=1S/C21H24F3N5O2/c1-4-15-10-16(21(22,23)24)17-18(27-31-19(17)26-15)14-6-5-9-28(11-14)20(30)13(3)29-12(2)7-8-25-29/h7-8,10,13-14H,4-6,9,11H2,1-3H3/t13-,14-/m1/s1
InChIKeyWTPKEPNDTSMQGV-ZIAGYGMSSA-N
XLogP4.28
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one with MolForge

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Related Compounds

(2R)-2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 95850034
1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110243279
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92588632
1-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 92588608
1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 110235817
1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one
CID 110243278
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92589101
[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 92588639
(2S)-2-imidazol-1-yl-1-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 95850019
3-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]-6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92588676
(5-ethyl-1,2-oxazol-3-yl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235785
1-[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 110235683

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one (CID 95850059) is (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one is CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H](C)n4nccc4C)C3)noc2n1.
What is the InChIKey of (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is WTPKEPNDTSMQGV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-4-15-10-16(21(22,23)24)17-18(27-31-19(17)26-15)14-6-5-9-28(11-14)20(30)13(3)29-12(2)7-8-25-29/h7-8,10,13-14H,4-6,9,11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one?
(2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 435.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 95850059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).