(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

C23H21F3N6O2 — CID 17454255

IUPAC(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccn2cc(C(=O)N3CCN(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)nc2c1
InChIInChI=1S/C23H21F3N6O2/c1-15-5-6-32-13-18(27-19(32)11-15)22(33)31-9-7-30(8-10-31)14-20-28-21(29-34-20)16-3-2-4-17(12-16)23(24,25)26/h2-6,11-13H,7-10,14H2,1H3
InChIKeyDUJXFTBYGOTHDC-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.67
Rot. Bonds4

About (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 17454255) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID17454255
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC Name(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccn2cc(C(=O)N3CCN(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)nc2c1
InChIInChI=1S/C23H21F3N6O2/c1-15-5-6-32-13-18(27-19(32)11-15)22(33)31-9-7-30(8-10-31)14-20-28-21(29-34-20)16-3-2-4-17(12-16)23(24,25)26/h2-6,11-13H,7-10,14H2,1H3
InChIKeyDUJXFTBYGOTHDC-UHFFFAOYSA-N
XLogP3.67
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 134042390
(3-fluorophenyl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 34823029
(4-fluorophenyl)-[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 36954997
(4-fluoro-1-benzothiophen-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 99174359
1-[5-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 134042428
3-(1-methylpyrazol-4-yl)-1-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 52694220
2-(4-ethoxyphenyl)-1-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 134042474
3-(4-methoxyphenyl)-1-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 52550888
ethyl 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxylate
CID 55486767
2-phenylmethoxy-1-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 134042382
3-phenoxy-1-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 52551149
N,N-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 46407078

Frequently Asked Questions

What is the IUPAC name of (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 17454255) is (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1ccn2cc(C(=O)N3CCN(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)nc2c1.
What is the InChIKey of (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is DUJXFTBYGOTHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c1-15-5-6-32-13-18(27-19(32)11-15)22(33)31-9-7-30(8-10-31)14-20-28-21(29-34-20)16-3-2-4-17(12-16)23(24,25)26/h2-6,11-13H,7-10,14H2,1H3.
What are the key properties of (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 470.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 17454255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).