3-(2-methylimidazol-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

C22H26F3N5O2 — CID 92565816

IUPAC3-(2-methylimidazol-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
SMILESCc1nccn1CCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1
InChIInChI=1S/C22H26F3N5O2/c1-13(2)17-11-16(22(23,24)25)19-20(28-32-21(19)27-17)15-5-4-8-30(12-15)18(31)6-9-29-10-7-26-14(29)3/h7,10-11,13,15H,4-6,8-9,12H2,1-3H3/t15-/m1/s1
InChIKeyVHNKKANGPUHKKI-OAHLLOKOSA-N
MW449.48 g/mol
LogP4.67
Rot. Bonds5

About 3-(2-methylimidazol-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

3-(2-methylimidazol-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 (PubChem CID 92565816) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is 3-(2-methylimidazol-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.

Molecular Properties

Compound Name3-(2-methylimidazol-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
PubChem CID92565816
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC Name3-(2-methylimidazol-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
SMILESCc1nccn1CCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1
InChIInChI=1S/C22H26F3N5O2/c1-13(2)17-11-16(22(23,24)25)19-20(28-32-21(19)27-17)15-5-4-8-30(12-15)18(31)6-9-29-10-7-26-14(29)3/h7,10-11,13,15H,4-6,8-9,12H2,1-3H3/t15-/m1/s1
InChIKeyVHNKKANGPUHKKI-OAHLLOKOSA-N
XLogP4.67
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methylimidazol-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 with MolForge

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Related Compounds

3-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 92580827
3-(3-methylpyrazol-1-yl)-1-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 110235757
4-(2-methylimidazol-1-yl)-1-[3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]butan-1-one
CID 110217684
(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
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
(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]-3-pyrazol-1-ylpropan-1-one
CID 110235817
(2-methylpyrazol-3-yl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235773
(1-methylpyrazol-4-yl)-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92580861
(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
(3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235790
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-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?
The IUPAC name of 3-(2-methylimidazol-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 92565816) is 3-(2-methylimidazol-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.
What is the SMILES notation for 3-(2-methylimidazol-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?
The canonical SMILES for 3-(2-methylimidazol-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 is Cc1nccn1CCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1.
What is the InChIKey of 3-(2-methylimidazol-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?
The InChIKey is VHNKKANGPUHKKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-13(2)17-11-16(22(23,24)25)19-20(28-32-21(19)27-17)15-5-4-8-30(12-15)18(31)6-9-29-10-7-26-14(29)3/h7,10-11,13,15H,4-6,8-9,12H2,1-3H3/t15-/m1/s1.
What are the key properties of 3-(2-methylimidazol-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?
3-(2-methylimidazol-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 has a molecular weight of 449.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-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 is sourced from PubChem (CID 92565816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).