1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one

C86H109Cl4F5N4O11 — CID 158333726

About 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one

1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one (PubChem CID 158333726) has the molecular formula C86H109Cl4F5N4O11 and a molecular weight of 1611.64 g/mol. Its IUPAC name is 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one
• PubChem CID: 158333726
• Molecular Formula: C86H109Cl4F5N4O11
• Molecular Weight: 1611.64 g/mol
• Exact Mass: 1608.68
• IUPAC Name: 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one
• SMILES: CC(CO)c1cc(C(=O)CCC2CCC(F)(F)CC2)c2c(Cl)cccn12.CCOCCc1cc(C(=O)CCC2(O)CCCC(C)C2)c2c(Cl)cccn12.CCOCCc1cc(C(=O)CC[C@@]2(O)CCC[C@@H](C)C2)c2c(Cl)cccn12.O=C(CCC1(O)CCCC(C(F)(F)F)C1)c1cc(C2CCOC2)n2cccc(Cl)c12
• InChI: InChI=1S/C22H25ClF3NO3.2C22H30ClNO3.C20H24ClF2NO2/c23-17-4-2-9-27-18(14-6-10-30-13-14)11-16(20(17)27)19(28)5-8-21(29)7-1-3-15(12-21)22(24,25)26;2*1-3-27-13-9-17-14-18(21-19(23)7-5-12-24(17)21)20(25)8-11-22(26)10-4-6-16(2)15-22;1-13(12-25)17-11-15(19-16(21)3-2-10-24(17)19)18(26)5-4-14-6-8-20(22,23)9-7-14/h2,4,9,11,14-15,29H,1,3,5-8,10,12-13H2;2*5,7,12,14,16,26H,3-4,6,8-11,13,15H2,1-2H3;2-3,10-11,13-14,25H,4-9,12H2,1H3/t;16-,22+;;/m.1../s1
• InChIKey: GQICOBWQNHSDLE-BRDFHZIKSA-N
• XLogP: 21.17
• TPSA: 194.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1611.64
LogP ≤ 5	21.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one?

The IUPAC name of 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one (CID 158333726) is 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one.

What is the SMILES notation for 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one?

The canonical SMILES for 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one is CC(CO)c1cc(C(=O)CCC2CCC(F)(F)CC2)c2c(Cl)cccn12.CCOCCc1cc(C(=O)CCC2(O)CCCC(C)C2)c2c(Cl)cccn12.CCOCCc1cc(C(=O)CC[C@@]2(O)CCC[C@@H](C)C2)c2c(Cl)cccn12.O=C(CCC1(O)CCCC(C(F)(F)F)C1)c1cc(C2CCOC2)n2cccc(Cl)c12.

What is the InChIKey of 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one?

The InChIKey is GQICOBWQNHSDLE-BRDFHZIKSA-N. The full InChI is InChI=1S/C22H25ClF3NO3.2C22H30ClNO3.C20H24ClF2NO2/c23-17-4-2-9-27-18(14-6-10-30-13-14)11-16(20(17)27)19(28)5-8-21(29)7-1-3-15(12-21)22(24,25)26;2*1-3-27-13-9-17-14-18(21-19(23)7-5-12-24(17)21)20(25)8-11-22(26)10-4-6-16(2)15-22;1-13(12-25)17-11-15(19-16(21)3-2-10-24(17)19)18(26)5-4-14-6-8-20(22,23)9-7-14/h2,4,9,11,14-15,29H,1,3,5-8,10,12-13H2;2*5,7,12,14,16,26H,3-4,6,8-11,13,15H2,1-2H3;2-3,10-11,13-14,25H,4-9,12H2,1H3/t;16-,22+;;/m.1../s1.

What are the key properties of 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one?

1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one has a molecular weight of 1611.64 g/mol, XLogP of 21.17, 27 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(1-hydroxypropan-2-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[1-hydroxy-3-(trifluoromethyl)cyclohexyl]propan-1-one is sourced from PubChem (CID 158333726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).