2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide

C17H12F3N3O — CID 175388443

IUPAC2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C17H12F3N3O/c1-10(16(21)24)11-2-4-14-12(8-11)6-7-23(14)15-5-3-13(9-22-15)17(18,19)20/h2-9H,1H2,(H2,21,24)
InChIKeyYCQRIFTYYWLECZ-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.54
Rot. Bonds3

About 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide

2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide (PubChem CID 175388443) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide
PubChem CID175388443
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C17H12F3N3O/c1-10(16(21)24)11-2-4-14-12(8-11)6-7-23(14)15-5-3-13(9-22-15)17(18,19)20/h2-9H,1H2,(H2,21,24)
InChIKeyYCQRIFTYYWLECZ-UHFFFAOYSA-N
XLogP3.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide 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

2-[1-(5-fluoro-3-pyridinyl)indol-5-yl]prop-2-enamide
CID 175373743
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-5-yl]prop-2-enamide
CID 175883493
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
1-(4-carbamoylphenyl)indole-5-carboxylic acid
CID 59626065
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid
CID 102277539
2,2,2-trifluoroethyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 47085107
2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
CID 175876313
(3,4-difluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 55414431
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide?
The IUPAC name of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide (CID 175388443) is 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide.
What is the SMILES notation for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide?
The canonical SMILES for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide is C=C(C(N)=O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide?
The InChIKey is YCQRIFTYYWLECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c1-10(16(21)24)11-2-4-14-12(8-11)6-7-23(14)15-5-3-13(9-22-15)17(18,19)20/h2-9H,1H2,(H2,21,24).
What are the key properties of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide?
2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide has a molecular weight of 331.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide is sourced from PubChem (CID 175388443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).