6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde

C63H61F9N6O10 — CID 158130889

IUPAC6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOc1cc2c(cc1N1CCOCC1)C/C(=C\c1ccc(C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCOCC1)CCC2=O.O=Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H21F3N2O3.C21H19F3N2O3.C14H17NO3.C7H4F3NO/c2*1-28-18-11-16-14(10-17(18)26-4-6-29-7-5-26)9-15(20(16)27)8-13-2-3-19(25-12-13)21(22,23)24;1-17-14-9-11-10(2-3-13(11)16)8-12(14)15-4-6-18-7-5-15;8-7(9,10)6-2-1-5(4-12)3-11-6/h2-3,10-12,15H,4-9H2,1H3;2-3,8,10-12H,4-7,9H2,1H3;8-9H,2-7H2,1H3;1-4H/b;15-8+;;
InChIKeyFSTJRVMSWAKZES-IPYVSIGFSA-N
MW1233.19 g/mol
LogP10.88
Rot. Bonds10

About 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde

6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 158130889) has the molecular formula C63H61F9N6O10 and a molecular weight of 1233.19 g/mol. Its IUPAC name is 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID158130889
Molecular FormulaC63H61F9N6O10
Molecular Weight1233.19 g/mol
Exact Mass1232.43
IUPAC Name6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOc1cc2c(cc1N1CCOCC1)C/C(=C\c1ccc(C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCOCC1)CCC2=O.O=Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H21F3N2O3.C21H19F3N2O3.C14H17NO3.C7H4F3NO/c2*1-28-18-11-16-14(10-17(18)26-4-6-29-7-5-26)9-15(20(16)27)8-13-2-3-19(25-12-13)21(22,23)24;1-17-14-9-11-10(2-3-13(11)16)8-12(14)15-4-6-18-7-5-15;8-7(9,10)6-2-1-5(4-12)3-11-6/h2-3,10-12,15H,4-9H2,1H3;2-3,8,10-12H,4-7,9H2,1H3;8-9H,2-7H2,1H3;1-4H/b;15-8+;;
InChIKeyFSTJRVMSWAKZES-IPYVSIGFSA-N
XLogP10.88
TPSA172.05 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001233.19
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-5-morpholino-2-((3-(trifluoromethyl)pyridin-2-yl)methyl)-2,3-dihydro-1H-inden-1-one
CID 117940165
6-Methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)pyridin-2-yl]methyl]-2,3-dihydroinden-1-one
CID 117940077
6-Methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)pyridin-2-yl]methyl]-2,3-dihydroinden-1-one
CID 117940081
(E)-6-methoxy-5-morpholino-2-((3-(trifluoromethyl)pyridin-2-yl)methylene)-2,3-dihydro-1H-inden-1-one
CID 117940089
(E)-6-methoxy-5-morpholino-2-((6-(trifluoromethyl)pyridin-3-yl)methylene)-2,3-dihydro-1H-inden-1-one
CID 117940111
2-[[6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)pyridin-3-yl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 117940113
6-methoxy-5-morpholino-2((6-(trifluoromethyl)pyrdin-3-yl)methyl)-2,3-dihydro-1H-inden-1-one
CID 117940129
5-(4-Fluoropiperidin-1-yl)-6-methoxy-2-[[3-(trifluoromethyl)pyridin-2-yl]methyl]-2,3-dihydroinden-1-one
CID 117940218
(2E)-6-methoxy-5-(4-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)pyridin-2-yl]methylidene]-3H-inden-1-one
CID 117945169
2-[[6-(Fluoromethyl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 117947904
6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one
CID 123410495
6-methoxy-5-morpholin-4-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one
CID 123454395

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 158130889) is 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde is COc1cc2c(cc1N1CCOCC1)C/C(=C\c1ccc(C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCOCC1)CCC2=O.O=Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is FSTJRVMSWAKZES-IPYVSIGFSA-N. The full InChI is InChI=1S/C21H21F3N2O3.C21H19F3N2O3.C14H17NO3.C7H4F3NO/c2*1-28-18-11-16-14(10-17(18)26-4-6-29-7-5-26)9-15(20(16)27)8-13-2-3-19(25-12-13)21(22,23)24;1-17-14-9-11-10(2-3-13(11)16)8-12(14)15-4-6-18-7-5-15;8-7(9,10)6-2-1-5(4-12)3-11-6/h2-3,10-12,15H,4-9H2,1H3;2-3,8,10-12H,4-7,9H2,1H3;8-9H,2-7H2,1H3;1-4H/b;15-8+;;.
What are the key properties of 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde?
6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 1233.19 g/mol, XLogP of 10.88, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]-3H-inden-1-one;6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 158130889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).