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

C21H24F3N5O2 — CID 110217684

IUPAC4-(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
SMILESCc1noc2nc(C3CCCN(C(=O)CCCn4ccnc4C)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H24F3N5O2/c1-13-19-16(21(22,23)24)11-17(26-20(19)31-27-13)15-5-3-9-29(12-15)18(30)6-4-8-28-10-7-25-14(28)2/h7,10-11,15H,3-6,8-9,12H2,1-2H3
InChIKeyQTVABLQCQLYIMZ-UHFFFAOYSA-N
MW435.45 g/mol
LogP4.24
Rot. Bonds5

About 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

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 (PubChem CID 110217684) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID110217684
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name4-(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
SMILESCc1noc2nc(C3CCCN(C(=O)CCCn4ccnc4C)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H24F3N5O2/c1-13-19-16(21(22,23)24)11-17(26-20(19)31-27-13)15-5-3-9-29(12-15)18(30)6-4-8-28-10-7-25-14(28)2/h7,10-11,15H,3-6,8-9,12H2,1-2H3
InChIKeyQTVABLQCQLYIMZ-UHFFFAOYSA-N
XLogP4.24
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(3R)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92597815
(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
(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
4-(2-methylimidazol-1-yl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734906
(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
4-(2-methylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 95788736
(4S)-4-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]-1-prop-2-enylpyrrolidin-2-one
CID 95849954
6-ethyl-5-methyl-3-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 92588428
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc2nc(C3CCCN(C(=O)CCCn4ccnc4C)C3)cc(C(F)(F)F)c12.
What is the InChIKey of 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?
The InChIKey is QTVABLQCQLYIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-13-19-16(21(22,23)24)11-17(26-20(19)31-27-13)15-5-3-9-29(12-15)18(30)6-4-8-28-10-7-25-14(28)2/h7,10-11,15H,3-6,8-9,12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 435.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110217684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).