[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C19H17F3N4O2 — CID 92599707

IUPAC[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1noc2nc(C3CCN(C(=O)c4ccncc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H17F3N4O2/c1-11-16-14(19(20,21)22)10-15(24-17(16)28-25-11)12-4-8-26(9-5-12)18(27)13-2-6-23-7-3-13/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyGRAPQFMRTCEYGE-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.96
Rot. Bonds2

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

[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 92599707) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is [4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID92599707
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1noc2nc(C3CCN(C(=O)c4ccncc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H17F3N4O2/c1-11-16-14(19(20,21)22)10-15(24-17(16)28-25-11)12-4-8-26(9-5-12)18(27)13-2-6-23-7-3-13/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyGRAPQFMRTCEYGE-UHFFFAOYSA-N
XLogP3.96
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599471
[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599482
[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92599666
2-(2-fluorophenyl)-1-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92599637
1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 110217761
(2-methoxy-4-pyridinyl)-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599263
(1-methylpyrazol-4-yl)-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599311
2-(1,1-dioxothiolan-3-yl)-1-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 110217768
[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92599697
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92553909
(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92589040
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92605521

Frequently Asked Questions

What is the IUPAC name of [4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 92599707) is [4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1noc2nc(C3CCN(C(=O)c4ccncc4)CC3)cc(C(F)(F)F)c12.
What is the InChIKey of [4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is GRAPQFMRTCEYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11-16-14(19(20,21)22)10-15(24-17(16)28-25-11)12-4-8-26(9-5-12)18(27)13-2-6-23-7-3-13/h2-3,6-7,10,12H,4-5,8-9H2,1H3.
What are the key properties of [4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 390.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 92599707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).