(4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone

C23H21F3N2O3 — CID 23288082

IUPAC(4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone
SMILESCOc1ccc(C(=O)n2cc(C3=CCN(C)CC3)c3cc(OC(F)(F)F)ccc32)cc1
InChIInChI=1S/C23H21F3N2O3/c1-27-11-9-15(10-12-27)20-14-28(22(29)16-3-5-17(30-2)6-4-16)21-8-7-18(13-19(20)21)31-23(24,25)26/h3-9,13-14H,10-12H2,1-2H3
InChIKeyWQZIQLPCCNGVAM-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.96
Rot. Bonds4

About (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone

(4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone (PubChem CID 23288082) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone
PubChem CID23288082
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Name(4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone
SMILESCOc1ccc(C(=O)n2cc(C3=CCN(C)CC3)c3cc(OC(F)(F)F)ccc32)cc1
InChIInChI=1S/C23H21F3N2O3/c1-27-11-9-15(10-12-27)20-14-28(22(29)16-3-5-17(30-2)6-4-16)21-8-7-18(13-19(20)21)31-23(24,25)26/h3-9,13-14H,10-12H2,1-2H3
InChIKeyWQZIQLPCCNGVAM-UHFFFAOYSA-N
XLogP4.96
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone (CID 23288082) is (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone is COc1ccc(C(=O)n2cc(C3=CCN(C)CC3)c3cc(OC(F)(F)F)ccc32)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone?
The InChIKey is WQZIQLPCCNGVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-27-11-9-15(10-12-27)20-14-28(22(29)16-3-5-17(30-2)6-4-16)21-8-7-18(13-19(20)21)31-23(24,25)26/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone?
(4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone has a molecular weight of 430.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone is sourced from PubChem (CID 23288082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).