5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C21H17F3N4O2 — CID 10740494

IUPAC5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2
InChIInChI=1S/C21H17F3N4O2/c1-30-19-8-13-4-6-28(18(13)9-17(19)21(22,23)24)20(29)27-16-7-15(11-26-12-16)14-3-2-5-25-10-14/h2-3,5,7-12H,4,6H2,1H3,(H,27,29)
InChIKeySCIWSGYMXWZBPV-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.77
Rot. Bonds3

About 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10740494) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10740494
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2
InChIInChI=1S/C21H17F3N4O2/c1-30-19-8-13-4-6-28(18(13)9-17(19)21(22,23)24)20(29)27-16-7-15(11-26-12-16)14-3-2-5-25-10-14/h2-3,5,7-12H,4,6H2,1H3,(H,27,29)
InChIKeySCIWSGYMXWZBPV-UHFFFAOYSA-N
XLogP4.77
TPSA67.35 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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide 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

SB 243213
CID 443391
SB 228357
CID 443390
SB-247853
CID 9888804
N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (4-methyl-3-pyridin-3-yl-phenyl)-amide
CID 10550405
1-[4-Methyl-3-(4-methyl-3-pyridyl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10623020
N-(3-fluoro-4-methyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10623205
1-[3-(4-Methyl-3-pyridyl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10646133
1-[5-(4-Methyl-3-pyridyl)-pyrid-3-ylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10670191
1-[5-Ethyl-3-(pyrid-3-yl)phenylcarbamoyl]-5-methoxy6-trifluoromethylindoline
CID 10670813
1-[4-Methoxy-3-(pyrid-3-yl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10718089
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [3,4'']bipyridinyl-5-ylamide
CID 10764263

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10740494) is 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2.
What is the InChIKey of 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is SCIWSGYMXWZBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-30-19-8-13-4-6-28(18(13)9-17(19)21(22,23)24)20(29)27-16-7-15(11-26-12-16)14-3-2-5-25-10-14/h2-3,5,7-12H,4,6H2,1H3,(H,27,29).
What are the key properties of 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(5-pyridin-3-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10740494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).