1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one

C83H103Cl3F4N4O9 — CID 158773493

About 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one

1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one (PubChem CID 158773493) has the molecular formula C83H103Cl3F4N4O9 and a molecular weight of 1483.11 g/mol. Its IUPAC name is 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one
• PubChem CID: 158773493
• Molecular Formula: C83H103Cl3F4N4O9
• Molecular Weight: 1483.11 g/mol
• Exact Mass: 1480.67
• IUPAC Name: 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one
• SMILES: COCCc1cc(C(=O)CCC2CC(C)CC(F)(F)C2)c2c(Cl)cccn12.COCCc1cc(C(=O)CC[C@@]2(O)CCCC(C)C2)c2c(C)cccn12.O=C(CCC1CCC(F)(F)CC1)c1cc(C2=COCC2)n2cccc(Cl)c12.O=C(CCC1CCCCC1)c1cc(CCO)n2cccc(Cl)c12
• InChI: InChI=1S/C22H31NO3.C21H22ClF2NO2.C21H26ClF2NO2.C19H24ClNO2/c1-16-6-4-10-22(25,15-16)11-8-20(24)19-14-18(9-13-26-3)23-12-5-7-17(2)21(19)23;22-17-2-1-10-25-18(15-7-11-27-13-15)12-16(20(17)25)19(26)4-3-14-5-8-21(23,24)9-6-14;1-14-10-15(13-21(23,24)12-14)5-6-19(26)17-11-16(7-9-27-2)25-8-3-4-18(22)20(17)25;20-17-7-4-11-21-15(10-12-22)13-16(19(17)21)18(23)9-8-14-5-2-1-3-6-14/h5,7,12,14,16,25H,4,6,8-11,13,15H2,1-3H3;1-2,10,12-14H,3-9,11H2;3-4,8,11,14-15H,5-7,9-10,12-13H2,1-2H3;4,7,11,13-14,22H,1-3,5-6,8-10,12H2/t16?,22-;;;/m0.../s1
• InChIKey: IQEFDLZILPINHE-BYKSMAGASA-N
• XLogP: 20.97
• TPSA: 154.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1483.11
LogP ≤ 5	20.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one?

The IUPAC name of 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one (CID 158773493) is 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one.

What is the SMILES notation for 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one?

The canonical SMILES for 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one is COCCc1cc(C(=O)CCC2CC(C)CC(F)(F)C2)c2c(Cl)cccn12.COCCc1cc(C(=O)CC[C@@]2(O)CCCC(C)C2)c2c(C)cccn12.O=C(CCC1CCC(F)(F)CC1)c1cc(C2=COCC2)n2cccc(Cl)c12.O=C(CCC1CCCCC1)c1cc(CCO)n2cccc(Cl)c12.

What is the InChIKey of 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one?

The InChIKey is IQEFDLZILPINHE-BYKSMAGASA-N. The full InChI is InChI=1S/C22H31NO3.C21H22ClF2NO2.C21H26ClF2NO2.C19H24ClNO2/c1-16-6-4-10-22(25,15-16)11-8-20(24)19-14-18(9-13-26-3)23-12-5-7-17(2)21(19)23;22-17-2-1-10-25-18(15-7-11-27-13-15)12-16(20(17)25)19(26)4-3-14-5-8-21(23,24)9-6-14;1-14-10-15(13-21(23,24)12-14)5-6-19(26)17-11-16(7-9-27-2)25-8-3-4-18(22)20(17)25;20-17-7-4-11-21-15(10-12-22)13-16(19(17)21)18(23)9-8-14-5-2-1-3-6-14/h5,7,12,14,16,25H,4,6,8-11,13,15H2,1-3H3;1-2,10,12-14H,3-9,11H2;3-4,8,11,14-15H,5-7,9-10,12-13H2,1-2H3;4,7,11,13-14,22H,1-3,5-6,8-10,12H2/t16?,22-;;;/m0.../s1.

What are the key properties of 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one?

1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one has a molecular weight of 1483.11 g/mol, XLogP of 20.97, 25 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-chloro-3-(2,3-dihydrofuran-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-cyclohexylpropan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one is sourced from PubChem (CID 158773493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).