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

C23H17F6N3O2 — CID 71458824

IUPAC5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)cc(C(F)(F)F)c1)CC2
InChIInChI=1S/C23H17F6N3O2/c1-34-20-9-13-4-6-32(19(13)11-18(20)23(27,28)29)21(33)31-17-8-15(14-3-2-5-30-12-14)7-16(10-17)22(24,25)26/h2-3,5,7-12H,4,6H2,1H3,(H,31,33)
InChIKeyYAZJLXFAUHRWKL-UHFFFAOYSA-N
MW481.40 g/mol
LogP6.39
Rot. Bonds3

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

5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 71458824) has the molecular formula C23H17F6N3O2 and a molecular weight of 481.40 g/mol. Its IUPAC name is 5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID71458824
Molecular FormulaC23H17F6N3O2
Molecular Weight481.40 g/mol
Exact Mass481.12
IUPAC Name5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)cc(C(F)(F)F)c1)CC2
InChIInChI=1S/C23H17F6N3O2/c1-34-20-9-13-4-6-32(19(13)11-18(20)23(27,28)29)21(33)31-17-8-15(14-3-2-5-30-12-14)7-16(10-17)22(24,25)26/h2-3,5,7-12H,4,6H2,1H3,(H,31,33)
InChIKeyYAZJLXFAUHRWKL-UHFFFAOYSA-N
XLogP6.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.40
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 18005147
5-methoxy-N-(5-phenyl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10835537
5-methoxy-N-phenyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10640590
5-methoxy-N-[3-(2-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10550406
[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-(3-pyrimidin-5-ylphenyl)methanone
CID 70083791
5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10714852
5-methoxy-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;4-(pyridin-4-ylsulfanylmethyl)aniline
CID 70081253
N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 67595367
2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 175813762
6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10595858
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
CID 46317327
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 71458824) is 5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)cc(C(F)(F)F)c1)CC2.
What is the InChIKey of 5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is YAZJLXFAUHRWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3O2/c1-34-20-9-13-4-6-32(19(13)11-18(20)23(27,28)29)21(33)31-17-8-15(14-3-2-5-30-12-14)7-16(10-17)22(24,25)26/h2-3,5,7-12H,4,6H2,1H3,(H,31,33).
What are the key properties of 5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 481.40 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 71458824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).