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

C23H20F3N3O3 — CID 10718089

IUPAC5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1
InChIInChI=1S/C23H20F3N3O3/c1-31-20-6-5-16(11-17(20)15-4-3-8-27-13-15)28-22(30)29-9-7-14-10-21(32-2)18(12-19(14)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)
InChIKeyRCKUMMWWCMFKRU-UHFFFAOYSA-N
MW443.43 g/mol
LogP5.38
Rot. Bonds4

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

5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10718089) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10718089
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1
InChIInChI=1S/C23H20F3N3O3/c1-31-20-6-5-16(11-17(20)15-4-3-8-27-13-15)28-22(30)29-9-7-14-10-21(32-2)18(12-19(14)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)
InChIKeyRCKUMMWWCMFKRU-UHFFFAOYSA-N
XLogP5.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10718089) is 5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1.
What is the InChIKey of 5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is RCKUMMWWCMFKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-31-20-6-5-16(11-17(20)15-4-3-8-27-13-15)28-22(30)29-9-7-14-10-21(32-2)18(12-19(14)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30).
What are the key properties of 5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methoxy-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10718089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).