3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole

C23H21F3N6 — CID 164553910

IUPAC3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole
SMILESCc1c(-c2cnc(C(F)(F)F)nc2)[nH]c2cc(-c3ccc(N4CCNCC4)nc3)ccc12
InChIInChI=1S/C23H21F3N6/c1-14-18-4-2-15(16-3-5-20(28-11-16)32-8-6-27-7-9-32)10-19(18)31-21(14)17-12-29-22(30-13-17)23(24,25)26/h2-5,10-13,27,31H,6-9H2,1H3
InChIKeyGUSWMHMURGDFMT-UHFFFAOYSA-N
MW438.46 g/mol
LogP4.42
Rot. Bonds3

About 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole

3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole (PubChem CID 164553910) has the molecular formula C23H21F3N6 and a molecular weight of 438.46 g/mol. Its IUPAC name is 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole.

Molecular Properties

Compound Name3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole
PubChem CID164553910
Molecular FormulaC23H21F3N6
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole
SMILESCc1c(-c2cnc(C(F)(F)F)nc2)[nH]c2cc(-c3ccc(N4CCNCC4)nc3)ccc12
InChIInChI=1S/C23H21F3N6/c1-14-18-4-2-15(16-3-5-20(28-11-16)32-8-6-27-7-9-32)10-19(18)31-21(14)17-12-29-22(30-13-17)23(24,25)26/h2-5,10-13,27,31H,6-9H2,1H3
InChIKeyGUSWMHMURGDFMT-UHFFFAOYSA-N
XLogP4.42
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole with MolForge

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]-1H-indole
CID 164553847
1-[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperazin-1-yl]ethanone;ethane
CID 164553749
[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperazin-1-yl]-oxo-[(3R)-pyrrolidin-3-yl]azanium
CID 164553751
(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 164553705
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-[6-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]-1H-indole;ethane
CID 164553597
[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol
CID 164553605
2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol
CID 164553519
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033
5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one
CID 159120939
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-(3-piperazin-1-ylsulfonylphenyl)-1H-indole
CID 164553635

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole?
The IUPAC name of 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole (CID 164553910) is 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole.
What is the SMILES notation for 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole?
The canonical SMILES for 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole is Cc1c(-c2cnc(C(F)(F)F)nc2)[nH]c2cc(-c3ccc(N4CCNCC4)nc3)ccc12.
What is the InChIKey of 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole?
The InChIKey is GUSWMHMURGDFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6/c1-14-18-4-2-15(16-3-5-20(28-11-16)32-8-6-27-7-9-32)10-19(18)31-21(14)17-12-29-22(30-13-17)23(24,25)26/h2-5,10-13,27,31H,6-9H2,1H3.
What are the key properties of 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole?
3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole has a molecular weight of 438.46 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole is sourced from PubChem (CID 164553910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).