5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C22H18F3N3O2 — CID 10573762

IUPAC5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2
InChIInChI=1S/C22H18F3N3O2/c1-30-20-11-15-8-10-28(19(15)12-18(20)22(23,24)25)21(29)27-17-6-4-14(5-7-17)16-3-2-9-26-13-16/h2-7,9,11-13H,8,10H2,1H3,(H,27,29)
InChIKeyXMPCLHRCNNVLNT-UHFFFAOYSA-N
MW413.40 g/mol
LogP5.37
Rot. Bonds3

About 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10573762) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10573762
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC Name5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2
InChIInChI=1S/C22H18F3N3O2/c1-30-20-11-15-8-10-28(19(15)12-18(20)22(23,24)25)21(29)27-17-6-4-14(5-7-17)16-3-2-9-26-13-16/h2-7,9,11-13H,8,10H2,1H3,(H,27,29)
InChIKeyXMPCLHRCNNVLNT-UHFFFAOYSA-N
XLogP5.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

SB 228357
CID 443390
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 [3,3'']bipyridinyl-5-ylamide
CID 10740494
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [3,4'']bipyridinyl-5-ylamide
CID 10764263
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [4-chloro-3-(4-methyl-pyridin-3-yl)-phenyl]-amide
CID 10766449
N-[6-(2-Methyl-3-pyridinyloxy)-3-pyridinyl]-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamide
CID 10837002

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10573762) is 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2.
What is the InChIKey of 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is XMPCLHRCNNVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c1-30-20-11-15-8-10-28(19(15)12-18(20)22(23,24)25)21(29)27-17-6-4-14(5-7-17)16-3-2-9-26-13-16/h2-7,9,11-13H,8,10H2,1H3,(H,27,29).
What are the key properties of 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 413.40 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10573762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).