2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone

C24H21F3N4O2S — CID 55809878

IUPAC2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCc1c(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C24H21F3N4O2S/c1-14-16-6-7-19(24(25,26)27)29-22(16)34-21(14)23(33)31-10-8-30(9-11-31)20(32)12-15-13-28-18-5-3-2-4-17(15)18/h2-7,13,28H,8-12H2,1H3
InChIKeyZCCLQOMXCODVAH-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.63
Rot. Bonds3

About 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 55809878) has the molecular formula C24H21F3N4O2S and a molecular weight of 486.52 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID55809878
Molecular FormulaC24H21F3N4O2S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC Name2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCc1c(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C24H21F3N4O2S/c1-14-16-6-7-19(24(25,26)27)29-22(16)34-21(14)23(33)31-10-8-30(9-11-31)20(32)12-15-13-28-18-5-3-2-4-17(15)18/h2-7,13,28H,8-12H2,1H3
InChIKeyZCCLQOMXCODVAH-UHFFFAOYSA-N
XLogP4.63
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 55657560
2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 55809686
1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 60526171
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 124613304
2-(1H-indol-3-yl)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 122142015
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55932242
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
1-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810532
(2-methylpiperazin-1-yl)-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 119473358
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55958755

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 55809878) is 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone is Cc1c(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is ZCCLQOMXCODVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S/c1-14-16-6-7-19(24(25,26)27)29-22(16)34-21(14)23(33)31-10-8-30(9-11-31)20(32)12-15-13-28-18-5-3-2-4-17(15)18/h2-7,13,28H,8-12H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 486.52 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55809878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).