5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C24H20F3N3O3 — CID 10837468

IUPAC5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2
InChIInChI=1S/C24H20F3N3O3/c1-32-21-10-14-4-7-30(20(14)12-19(21)24(25,26)27)23(31)29-17-9-15-5-8-33-22(15)18(11-17)16-3-2-6-28-13-16/h2-3,6,9-13H,4-5,7-8H2,1H3,(H,29,31)
InChIKeySXBHICYVWPUTOA-UHFFFAOYSA-N
MW455.44 g/mol
LogP5.31
Rot. Bonds3

About 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10837468) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10837468
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2
InChIInChI=1S/C24H20F3N3O3/c1-32-21-10-14-4-7-30(20(14)12-19(21)24(25,26)27)23(31)29-17-9-15-5-8-33-22(15)18(11-17)16-3-2-6-28-13-16/h2-3,6,9-13H,4-5,7-8H2,1H3,(H,29,31)
InChIKeySXBHICYVWPUTOA-UHFFFAOYSA-N
XLogP5.31
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10837468) is 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2.
What is the InChIKey of 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is SXBHICYVWPUTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-32-21-10-14-4-7-30(20(14)12-19(21)24(25,26)27)23(31)29-17-9-15-5-8-33-22(15)18(11-17)16-3-2-6-28-13-16/h2-3,6,9-13H,4-5,7-8H2,1H3,(H,29,31).
What are the key properties of 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10837468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).