2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C19H19BrF3N5O — CID 167933281

IUPAC2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(C(=O)Cc2nc3ccccn3c2Br)C1
InChIInChI=1S/C19H19BrF3N5O/c1-26-11-14(19(21,22)23)25-18(26)12-5-4-7-27(10-12)16(29)9-13-17(20)28-8-3-2-6-15(28)24-13/h2-3,6,8,11-12H,4-5,7,9-10H2,1H3
InChIKeyYGWHOUAUTZSVIO-UHFFFAOYSA-N
MW470.29 g/mol
LogP3.80
Rot. Bonds3

About 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 167933281) has the molecular formula C19H19BrF3N5O and a molecular weight of 470.29 g/mol. Its IUPAC name is 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID167933281
Molecular FormulaC19H19BrF3N5O
Molecular Weight470.29 g/mol
Exact Mass469.07
IUPAC Name2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(C(=O)Cc2nc3ccccn3c2Br)C1
InChIInChI=1S/C19H19BrF3N5O/c1-26-11-14(19(21,22)23)25-18(26)12-5-4-7-27(10-12)16(29)9-13-17(20)28-8-3-2-6-15(28)24-13/h2-3,6,8,11-12H,4-5,7,9-10H2,1H3
InChIKeyYGWHOUAUTZSVIO-UHFFFAOYSA-N
XLogP3.80
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128980186
(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980244
6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129346944
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
(5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980204
(5-methylpyrazin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128979420
(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980200
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124998104
N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 154739693
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 125024089
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 167933281) is 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone is Cn1cc(C(F)(F)F)nc1C1CCCN(C(=O)Cc2nc3ccccn3c2Br)C1.
What is the InChIKey of 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is YGWHOUAUTZSVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3N5O/c1-26-11-14(19(21,22)23)25-18(26)12-5-4-7-27(10-12)16(29)9-13-17(20)28-8-3-2-6-15(28)24-13/h2-3,6,8,11-12H,4-5,7,9-10H2,1H3.
What are the key properties of 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 470.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167933281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).