1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde

C86H92F6N8O15 — CID 157068913

About 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde

1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde (PubChem CID 157068913) has the molecular formula C86H92F6N8O15 and a molecular weight of 1591.71 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde
• PubChem CID: 157068913
• Molecular Formula: C86H92F6N8O15
• Molecular Weight: 1591.71 g/mol
• Exact Mass: 1590.66
• IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde
• SMILES: COc1cc2c(cc1N1CCOCC1)C/C(=C\c1cccnc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cccnc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cncc(C(C)(C)O)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CCC2=O.O=C(C(F)(F)F)C(F)(F)F.O=Cc1cccnc1
• InChI: InChI=1S/C23H28N2O4.C20H22N2O3.C20H20N2O3.C14H17NO3.C6H5NO.C3F6O/c1-23(2,27)18-9-15(13-24-14-18)8-17-10-16-11-20(25-4-6-29-7-5-25)21(28-3)12-19(16)22(17)26;2*1-24-19-12-17-15(11-18(19)22-5-7-25-8-6-22)10-16(20(17)23)9-14-3-2-4-21-13-14;1-17-14-9-11-10(2-3-13(11)16)8-12(14)15-4-6-18-7-5-15;8-5-6-2-1-3-7-4-6;4-2(5,6)1(10)3(7,8)9/h9,11-14,17,27H,4-8,10H2,1-3H3;2-4,11-13,16H,5-10H2,1H3;2-4,9,11-13H,5-8,10H2,1H3;8-9H,2-7H2,1H3;1-5H;/b;;16-9+
• InChIKey: ACEUIABEAMZJJL-LBCJFCSGSA-N
• XLogP: 12.26
• TPSA: 261.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1591.71
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

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 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde?

The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde (CID 157068913) is 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde?

The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde is COc1cc2c(cc1N1CCOCC1)C/C(=C\c1cccnc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cccnc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cncc(C(C)(C)O)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CCC2=O.O=C(C(F)(F)F)C(F)(F)F.O=Cc1cccnc1.

What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde?

The InChIKey is ACEUIABEAMZJJL-LBCJFCSGSA-N. The full InChI is InChI=1S/C23H28N2O4.C20H22N2O3.C20H20N2O3.C14H17NO3.C6H5NO.C3F6O/c1-23(2,27)18-9-15(13-24-14-18)8-17-10-16-11-20(25-4-6-29-7-5-25)21(28-3)12-19(16)22(17)26;2*1-24-19-12-17-15(11-18(19)22-5-7-25-8-6-22)10-16(20(17)23)9-14-3-2-4-21-13-14;1-17-14-9-11-10(2-3-13(11)16)8-12(14)15-4-6-18-7-5-15;8-5-6-2-1-3-7-4-6;4-2(5,6)1(10)3(7,8)9/h9,11-14,17,27H,4-8,10H2,1-3H3;2-4,11-13,16H,5-10H2,1H3;2-4,9,11-13H,5-8,10H2,1H3;8-9H,2-7H2,1H3;1-5H;/b;;16-9+;;;.

What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde?

1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde has a molecular weight of 1591.71 g/mol, XLogP of 12.26, 15 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoropropan-2-one;2-[[5-(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;6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-morpholin-4-yl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one;pyridine-3-carbaldehyde is sourced from PubChem (CID 157068913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).