3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile

C21H17F3N4O2 — CID 167350931

IUPAC3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile
SMILESCC(=O)N1CCC(Oc2ccc(-c3c[nH]c4c(C#N)cccc34)nc2C(F)(F)F)C1
InChIInChI=1S/C21H17F3N4O2/c1-12(29)28-8-7-14(11-28)30-18-6-5-17(27-20(18)21(22,23)24)16-10-26-19-13(9-25)3-2-4-15(16)19/h2-6,10,14,26H,7-8,11H2,1H3
InChIKeyNDJLTQUGAYIZAM-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.12
Rot. Bonds3

About 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile

3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile (PubChem CID 167350931) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile
PubChem CID167350931
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile
SMILESCC(=O)N1CCC(Oc2ccc(-c3c[nH]c4c(C#N)cccc34)nc2C(F)(F)F)C1
InChIInChI=1S/C21H17F3N4O2/c1-12(29)28-8-7-14(11-28)30-18-6-5-17(27-20(18)21(22,23)24)16-10-26-19-13(9-25)3-2-4-15(16)19/h2-6,10,14,26H,7-8,11H2,1H3
InChIKeyNDJLTQUGAYIZAM-UHFFFAOYSA-N
XLogP4.12
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile 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

tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 167350834
3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile
CID 170311818
3-[6-ethyl-5-(1-iodopyrrolidin-3-yl)oxypyrazin-2-yl]-1H-indole-7-carbonitrile
CID 170365334
3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350661
2-(1-acetylpyrrolidin-3-yl)oxy-5-[5-(3-morpholin-4-ylprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
CID 123876586
3-[5-amino-6-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350794
3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 175417583
3-[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636546
3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile
CID 167350539
3-[1-(2-naphthalen-1-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636576
3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile
CID 165172486
2-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
CID 90028206

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile?
The IUPAC name of 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile (CID 167350931) is 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile?
The canonical SMILES for 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile is CC(=O)N1CCC(Oc2ccc(-c3c[nH]c4c(C#N)cccc34)nc2C(F)(F)F)C1.
What is the InChIKey of 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile?
The InChIKey is NDJLTQUGAYIZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-12(29)28-8-7-14(11-28)30-18-6-5-17(27-20(18)21(22,23)24)16-10-26-19-13(9-25)3-2-4-15(16)19/h2-6,10,14,26H,7-8,11H2,1H3.
What are the key properties of 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile?
3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile has a molecular weight of 414.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 167350931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).