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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one

C104H129Cl4F4N5O12 — CID 158614809

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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one (PubChem CID 158614809) has the molecular formula C104H129Cl4F4N5O12 and a molecular weight of 1859.00 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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one
• PubChem CID: 158614809
• Molecular Formula: C104H129Cl4F4N5O12
• Molecular Weight: 1859.00 g/mol
• Exact Mass: 1855.83
• 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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one
• SMILES: COCCc1cc(C(=O)CC[C@@]2(O)CCC[C@@H](C)C2)c2c(C)cccn12.COCCc1cc(C(=O)CC[C@@]2(O)CCC[C@@H](C)C2)c2c(Cl)cccn12.O=C(CCC1CCC(F)(F)CC1)c1cc(C2=COCC2)n2cccc(Cl)c12.O=C(CCC1CCCC(F)(F)C1)c1cc(C2CCCO2)n2cccc(Cl)c12.O=C(CCC1CCCCC1)c1cc(CCO)n2cccc(Cl)c12
• InChI: InChI=1S/C22H31NO3.C21H24ClF2NO2.C21H22ClF2NO2.C21H28ClNO3.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;22-16-5-2-10-25-17(19-6-3-11-27-19)12-15(20(16)25)18(26)8-7-14-4-1-9-21(23,24)13-14;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;1-15-5-3-9-21(25,14-15)10-7-19(24)17-13-16(8-12-26-2)23-11-4-6-18(22)20(17)23;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;2,5,10,12,14,19H,1,3-4,6-9,11,13H2;1-2,10,12-14H,3-9,11H2;4,6,11,13,15,25H,3,5,7-10,12,14H2,1-2H3;4,7,11,13-14,22H,1-3,5-6,8-10,12H2/t16-,22+;;;15-,21+;/m1..1./s1
• InChIKey: HXGKVQORDVIPBL-ZNMYMNAGSA-N
• XLogP: 26.07
• TPSA: 205.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1859.00
LogP ≤ 5	26.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one (CID 158614809) 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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one is COCCc1cc(C(=O)CC[C@@]2(O)CCC[C@@H](C)C2)c2c(C)cccn12.COCCc1cc(C(=O)CC[C@@]2(O)CCC[C@@H](C)C2)c2c(Cl)cccn12.O=C(CCC1CCC(F)(F)CC1)c1cc(C2=COCC2)n2cccc(Cl)c12.O=C(CCC1CCCC(F)(F)C1)c1cc(C2CCCO2)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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one?

The InChIKey is HXGKVQORDVIPBL-ZNMYMNAGSA-N. The full InChI is InChI=1S/C22H31NO3.C21H24ClF2NO2.C21H22ClF2NO2.C21H28ClNO3.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;22-16-5-2-10-25-17(19-6-3-11-27-19)12-15(20(16)25)18(26)8-7-14-4-1-9-21(23,24)13-14;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;1-15-5-3-9-21(25,14-15)10-7-19(24)17-13-16(8-12-26-2)23-11-4-6-18(22)20(17)23;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;2,5,10,12,14,19H,1,3-4,6-9,11,13H2;1-2,10,12-14H,3-9,11H2;4,6,11,13,15,25H,3,5,7-10,12,14H2,1-2H3;4,7,11,13-14,22H,1-3,5-6,8-10,12H2/t16-,22+;;;15-,21+;/m1..1./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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one has a molecular weight of 1859.00 g/mol, XLogP of 26.07, 30 rotatable bonds, 3 hydrogen bond donors, and 17 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-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one is sourced from PubChem (CID 158614809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).