5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole

C25H16Cl2F3N3O — CID 57458721

IUPAC5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccc4[nH]ccc4c3)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C25H16Cl2F3N3O/c26-20-2-1-3-21(27)24(20)33-18(13-23(32-33)25(28,29)30)14-34-19-7-4-15(5-8-19)16-6-9-22-17(12-16)10-11-31-22/h1-13,31H,14H2
InChIKeyGTCNKNFUASBJLH-UHFFFAOYSA-N
MW502.32 g/mol
LogP7.93
Rot. Bonds5

About 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole

5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole (PubChem CID 57458721) has the molecular formula C25H16Cl2F3N3O and a molecular weight of 502.32 g/mol. Its IUPAC name is 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole.

Molecular Properties

Compound Name5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole
PubChem CID57458721
Molecular FormulaC25H16Cl2F3N3O
Molecular Weight502.32 g/mol
Exact Mass501.06
IUPAC Name5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccc4[nH]ccc4c3)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C25H16Cl2F3N3O/c26-20-2-1-3-21(27)24(20)33-18(13-23(32-33)25(28,29)30)14-34-19-7-4-15(5-8-19)16-6-9-22-17(12-16)10-11-31-22/h1-13,31H,14H2
InChIKeyGTCNKNFUASBJLH-UHFFFAOYSA-N
XLogP7.93
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.32
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431
5-{5-[(2S)-2-amino-3-(2-chlorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 10475646
5-{5-[(2S)-2-amino-3-(3,5-dichlorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731495
5-{5-[(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731505
5-{5-[(2S)-2-amino-3-(3-chlorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731991
5-{5-[(2S)-2-amino-3-(4-chloro-3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732132
5-{5-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732279
5-{5-[(2S)-2-amino-3-(4-chlorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733021
5-{5-[(2S)-2-amino-3-(3-chloro-4-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733284
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(trifluoromethyl)-1H-indazole
CID 23647432
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazol-6-amine
CID 23647435
(S)-1-(1H-indol-3-yl)-3-(5-(3-phenyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 10217131

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
The IUPAC name of 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole (CID 57458721) is 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole.
What is the SMILES notation for 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
The canonical SMILES for 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole is FC(F)(F)c1cc(COc2ccc(-c3ccc4[nH]ccc4c3)cc2)n(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
The InChIKey is GTCNKNFUASBJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2F3N3O/c26-20-2-1-3-21(27)24(20)33-18(13-23(32-33)25(28,29)30)14-34-19-7-4-15(5-8-19)16-6-9-22-17(12-16)10-11-31-22/h1-13,31H,14H2.
What are the key properties of 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole has a molecular weight of 502.32 g/mol, XLogP of 7.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole is sourced from PubChem (CID 57458721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).