7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole

C21H17F3N4 — CID 173465105

IUPAC7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESFC(F)(F)c1ccc(-c2cn(C3CCc4cc5ccccc5n4C3)nn2)cc1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)16-7-5-14(6-8-16)19-13-28(26-25-19)18-10-9-17-11-15-3-1-2-4-20(15)27(17)12-18/h1-8,11,13,18H,9-10,12H2
InChIKeyKGAHYYICCMJJHB-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.11
Rot. Bonds2

About 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole

7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole (PubChem CID 173465105) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole.

Molecular Properties

Compound Name7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole
PubChem CID173465105
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC Name7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESFC(F)(F)c1ccc(-c2cn(C3CCc4cc5ccccc5n4C3)nn2)cc1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)16-7-5-14(6-8-16)19-13-28(26-25-19)18-10-9-17-11-15-3-1-2-4-20(15)27(17)12-18/h1-8,11,13,18H,9-10,12H2
InChIKeyKGAHYYICCMJJHB-UHFFFAOYSA-N
XLogP5.11
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole with MolForge

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Related Compounds

(1S,5R)-3-[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
CID 57340861
4-[1-[1-(1-methylindole-2-carbonyl)pyrrolidin-3-yl]triazol-4-yl]benzonitrile
CID 167748683
1-(3-methylcyclopentyl)-4-phenyltriazole
CID 126836997
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
1-(2-methoxyoxan-4-yl)-4-naphthalen-2-yltriazole
CID 175787994
2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine
CID 122389020
diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane
CID 102256886
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
3-[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]piperidine-2,6-dione
CID 132542942
4-phenyl-1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 86264972
4-phenyl-1-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 99987096
4-(4-tert-butylphenyl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)triazole
CID 155561396

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The IUPAC name of 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole (CID 173465105) is 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole.
What is the SMILES notation for 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The canonical SMILES for 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole is FC(F)(F)c1ccc(-c2cn(C3CCc4cc5ccccc5n4C3)nn2)cc1.
What is the InChIKey of 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The InChIKey is KGAHYYICCMJJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4/c22-21(23,24)16-7-5-14(6-8-16)19-13-28(26-25-19)18-10-9-17-11-15-3-1-2-4-20(15)27(17)12-18/h1-8,11,13,18H,9-10,12H2.
What are the key properties of 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole?
7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole has a molecular weight of 382.39 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole is sourced from PubChem (CID 173465105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).