3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine

C19H19ClF3N3 — CID 170866888

IUPAC3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C19H19ClF3N3/c1-25(2)9-5-6-13-12-26(17-8-4-3-7-15(13)17)18-16(20)10-14(11-24-18)19(21,22)23/h3-4,7-8,10-12H,5-6,9H2,1-2H3
InChIKeyCPTCBKZBYVLGTL-UHFFFAOYSA-N
MW381.83 g/mol
LogP5.19
Rot. Bonds5

About 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine

3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine (PubChem CID 170866888) has the molecular formula C19H19ClF3N3 and a molecular weight of 381.83 g/mol. Its IUPAC name is 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine
PubChem CID170866888
Molecular FormulaC19H19ClF3N3
Molecular Weight381.83 g/mol
Exact Mass381.12
IUPAC Name3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C19H19ClF3N3/c1-25(2)9-5-6-13-12-26(17-8-4-3-7-15(13)17)18-16(20)10-14(11-24-18)19(21,22)23/h3-4,7-8,10-12H,5-6,9H2,1-2H3
InChIKeyCPTCBKZBYVLGTL-UHFFFAOYSA-N
XLogP5.19
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-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

(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine
CID 20850729
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide
CID 3270209
3-(1-ethylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 158239004
methyl 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-3-(4-methoxyanilino)prop-2-enoate
CID 4586234
1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone
CID 24959859
3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 54246481
2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol
CID 170866980
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-methylindole-3-carboxylic acid
CID 46910672
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
3-(1-cyclopentylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866965
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine (CID 170866888) is 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12.
What is the InChIKey of 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is CPTCBKZBYVLGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3/c1-25(2)9-5-6-13-12-26(17-8-4-3-7-15(13)17)18-16(20)10-14(11-24-18)19(21,22)23/h3-4,7-8,10-12H,5-6,9H2,1-2H3.
What are the key properties of 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine?
3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 381.83 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).