(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone

C26H23N5O — CID 139422935

IUPAC(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone
SMILESO=C(c1c[nH]c2ccccc12)[C@@H](NCCc1ccc(-c2cn[nH]n2)cc1)c1ccccc1
InChIInChI=1S/C26H23N5O/c32-26(22-16-28-23-9-5-4-8-21(22)23)25(20-6-2-1-3-7-20)27-15-14-18-10-12-19(13-11-18)24-17-29-31-30-24/h1-13,16-17,25,27-28H,14-15H2,(H,29,30,31)/t25-/m0/s1
InChIKeyZEGFDPWUAOPASA-VWLOTQADSA-N
MW421.50 g/mol
LogP4.71
Rot. Bonds8

About (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone

(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone (PubChem CID 139422935) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone
PubChem CID139422935
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone
SMILESO=C(c1c[nH]c2ccccc12)[C@@H](NCCc1ccc(-c2cn[nH]n2)cc1)c1ccccc1
InChIInChI=1S/C26H23N5O/c32-26(22-16-28-23-9-5-4-8-21(22)23)25(20-6-2-1-3-7-20)27-15-14-18-10-12-19(13-11-18)24-17-29-31-30-24/h1-13,16-17,25,27-28H,14-15H2,(H,29,30,31)/t25-/m0/s1
InChIKeyZEGFDPWUAOPASA-VWLOTQADSA-N
XLogP4.71
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone 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

(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethanone
CID 139422939
1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone
CID 139422871
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-pyridin-4-yl-1H-indol-3-yl)ethanone
CID 139423104
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
2-[2-(4-chlorophenyl)ethylamino]-1-[6-(1-methylimidazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
CID 139423125
methyl 4-[2-[[2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzoate
CID 139416223
(2R)-1-[6-(1-ethylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 159919528
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 158771521
N-[(2R)-2-hydroxypropyl]-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide
CID 160969332
(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 161062434
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
CID 139422927
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone (CID 139422935) is (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone is O=C(c1c[nH]c2ccccc12)[C@@H](NCCc1ccc(-c2cn[nH]n2)cc1)c1ccccc1.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone?
The InChIKey is ZEGFDPWUAOPASA-VWLOTQADSA-N. The full InChI is InChI=1S/C26H23N5O/c32-26(22-16-28-23-9-5-4-8-21(22)23)25(20-6-2-1-3-7-20)27-15-14-18-10-12-19(13-11-18)24-17-29-31-30-24/h1-13,16-17,25,27-28H,14-15H2,(H,29,30,31)/t25-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone?
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone has a molecular weight of 421.50 g/mol, XLogP of 4.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone is sourced from PubChem (CID 139422935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).