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

C69H64F18N6O13 — CID 160900407

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

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one (PubChem CID 160900407) has the molecular formula C69H64F18N6O13 and a molecular weight of 1527.26 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
• PubChem CID: 160900407
• Molecular Formula: C69H64F18N6O13
• Molecular Weight: 1527.26 g/mol
• Exact Mass: 1526.42
• IUPAC Name: 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
• SMILES: COc1cc2c(cc1N1CCOCC1)C/C(=C\c1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CCC2=O.O=Cc1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1
• InChI: InChI=1S/C23H22F6N2O4.C23H20F6N2O4.C14H17NO3.C9H5F6NO2/c2*1-34-19-10-17-14(9-18(19)31-2-4-35-5-3-31)8-15(20(17)32)6-13-7-16(12-30-11-13)21(33,22(24,25)26)23(27,28)29;1-17-14-9-11-10(2-3-13(11)16)8-12(14)15-4-6-18-7-5-15;10-8(11,12)7(18,9(13,14)15)6-1-5(4-17)2-16-3-6/h7,9-12,15,33H,2-6,8H2,1H3;6-7,9-12,33H,2-5,8H2,1H3;8-9H,2-7H2,1H3;1-4,18H/b;15-6+
• InChIKey: SPKSMGAQNPHGKI-YYSHOPMISA-N
• XLogP: 11.77
• TPSA: 232.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1527.26
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one?

The IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one (CID 160900407) is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one.

What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one?

The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one is COc1cc2c(cc1N1CCOCC1)C/C(=C\c1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CCC2=O.O=Cc1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1.

What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one?

The InChIKey is SPKSMGAQNPHGKI-YYSHOPMISA-N. The full InChI is InChI=1S/C23H22F6N2O4.C23H20F6N2O4.C14H17NO3.C9H5F6NO2/c2*1-34-19-10-17-14(9-18(19)31-2-4-35-5-3-31)8-15(20(17)32)6-13-7-16(12-30-11-13)21(33,22(24,25)26)23(27,28)29;1-17-14-9-11-10(2-3-13(11)16)8-12(14)15-4-6-18-7-5-15;10-8(11,12)7(18,9(13,14)15)6-1-5(4-17)2-16-3-6/h7,9-12,15,33H,2-6,8H2,1H3;6-7,9-12,33H,2-5,8H2,1H3;8-9H,2-7H2,1H3;1-4,18H/b;15-6+;;.

What are the key properties of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one?

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one has a molecular weight of 1527.26 g/mol, XLogP of 11.77, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 160900407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).