4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

C18H17ClF3N3 — CID 3981859

IUPAC4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccccn2)[nH]c2c(C(F)(F)F)cc(Cl)cc12
InChIInChI=1S/C18H17ClF3N3/c19-11-9-13-12(5-1-3-7-23)17(15-6-2-4-8-24-15)25-16(13)14(10-11)18(20,21)22/h2,4,6,8-10,25H,1,3,5,7,23H2
InChIKeyGYKUWUDLMMSMFG-UHFFFAOYSA-N
MW367.80 g/mol
LogP5.18
Rot. Bonds5

About 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3981859) has the molecular formula C18H17ClF3N3 and a molecular weight of 367.80 g/mol. Its IUPAC name is 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3981859
Molecular FormulaC18H17ClF3N3
Molecular Weight367.80 g/mol
Exact Mass367.11
IUPAC Name4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccccn2)[nH]c2c(C(F)(F)F)cc(Cl)cc12
InChIInChI=1S/C18H17ClF3N3/c19-11-9-13-12(5-1-3-7-23)17(15-6-2-4-8-24-15)25-16(13)14(10-11)18(20,21)22/h2,4,6,8-10,25H,1,3,5,7,23H2
InChIKeyGYKUWUDLMMSMFG-UHFFFAOYSA-N
XLogP5.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.80
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine
CID 3574352
4-[5-chloro-2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3615736
4-[2-(5-bromoquinolin-8-yl)-5-chloro-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3357448
4-[2-(3-bromophenyl)-5-chloro-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3688892
4-[5-chloro-2-(4-ethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3500746
4-[5-chloro-7-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3892985
3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine
CID 170868095
4-(5,7-dichloro-2-phenyl-1H-indol-3-yl)butan-1-amine
CID 3460456
4-[2-quinolin-5-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3500745
2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
CID 2771640
4-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3565408
4-[2-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3569575

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine (CID 3981859) is 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine is NCCCCc1c(-c2ccccn2)[nH]c2c(C(F)(F)F)cc(Cl)cc12.
What is the InChIKey of 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is GYKUWUDLMMSMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3/c19-11-9-13-12(5-1-3-7-23)17(15-6-2-4-8-24-15)25-16(13)14(10-11)18(20,21)22/h2,4,6,8-10,25H,1,3,5,7,23H2.
What are the key properties of 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine?
4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 367.80 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3981859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).