1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol

C19H21F3N4O — CID 2795976

IUPAC1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
SMILESOC(CNCCNc1ccc(C(F)(F)F)cn1)Cn1ccc2ccccc21
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-5-6-18(25-11-15)24-9-8-23-12-16(27)13-26-10-7-14-3-1-2-4-17(14)26/h1-7,10-11,16,23,27H,8-9,12-13H2,(H,24,25)
InChIKeyGXXCOUPBMNPJNI-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.12
Rot. Bonds8

About 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol

1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol (PubChem CID 2795976) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
PubChem CID2795976
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
SMILESOC(CNCCNc1ccc(C(F)(F)F)cn1)Cn1ccc2ccccc21
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-5-6-18(25-11-15)24-9-8-23-12-16(27)13-26-10-7-14-3-1-2-4-17(14)26/h1-7,10-11,16,23,27H,8-9,12-13H2,(H,24,25)
InChIKeyGXXCOUPBMNPJNI-UHFFFAOYSA-N
XLogP3.12
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
The IUPAC name of 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol (CID 2795976) is 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol is OC(CNCCNc1ccc(C(F)(F)F)cn1)Cn1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
The InChIKey is GXXCOUPBMNPJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)15-5-6-18(25-11-15)24-9-8-23-12-16(27)13-26-10-7-14-3-1-2-4-17(14)26/h1-7,10-11,16,23,27H,8-9,12-13H2,(H,24,25).
What are the key properties of 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol has a molecular weight of 378.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol is sourced from PubChem (CID 2795976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).