[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone

C21H24F3N3O2 — CID 110235685

IUPAC[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)C4CC45CCC5)CC3)noc2n1
InChIInChI=1S/C21H24F3N3O2/c1-2-13-10-14(21(22,23)24)16-17(26-29-18(16)25-13)12-4-8-27(9-5-12)19(28)15-11-20(15)6-3-7-20/h10,12,15H,2-9,11H2,1H3
InChIKeyYWOGEQHATIGNPJ-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.70
Rot. Bonds3

About [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone

[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone (PubChem CID 110235685) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
PubChem CID110235685
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)C4CC45CCC5)CC3)noc2n1
InChIInChI=1S/C21H24F3N3O2/c1-2-13-10-14(21(22,23)24)16-17(26-29-18(16)25-13)12-4-8-27(9-5-12)19(28)15-11-20(15)6-3-7-20/h10,12,15H,2-9,11H2,1H3
InChIKeyYWOGEQHATIGNPJ-UHFFFAOYSA-N
XLogP4.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone with MolForge

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Related Compounds

(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-[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
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
(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
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
3-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]-6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92588676
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
[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 92588639
3-methoxy-1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92601324
[5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol
CID 92588740

Frequently Asked Questions

What is the IUPAC name of [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The IUPAC name of [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone (CID 110235685) is [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone.
What is the SMILES notation for [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The canonical SMILES for [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone is CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)C4CC45CCC5)CC3)noc2n1.
What is the InChIKey of [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The InChIKey is YWOGEQHATIGNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-2-13-10-14(21(22,23)24)16-17(26-29-18(16)25-13)12-4-8-27(9-5-12)19(28)15-11-20(15)6-3-7-20/h10,12,15H,2-9,11H2,1H3.
What are the key properties of [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone has a molecular weight of 407.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone is sourced from PubChem (CID 110235685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).