1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one

C85H106Cl4F6N4O9 — CID 162025084

IUPAC1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
SMILESCCOCCc1cc(C(=O)CCC2(O)CCC(F)(F)CC2)c2c(Cl)cccn12.CCOCCc1cc(C(=O)CCC2(O)CCCC(F)(F)C2)c2c(Cl)cccn12.C[C@@H]1CCC[C@](O)(CCC(=O)c2cc(C3CCC3)n3cccc(Cl)c23)C1.[2H]C([2H])([2H])CCCc1cc(C(=O)CCC2CCC(F)(F)CC2)c2c(Cl)cccn12
InChIInChI=1S/C22H28ClNO2.2C21H26ClF2NO3.C21H26ClF2NO/c1-15-5-3-10-22(26,14-15)11-9-20(25)17-13-19(16-6-2-7-16)24-12-4-8-18(23)21(17)24;1-2-28-12-7-15-13-16(19-17(22)5-3-11-25(15)19)18(26)6-10-20(27)8-4-9-21(23,24)14-20;1-2-28-13-6-15-14-16(19-17(22)4-3-12-25(15)19)18(26)5-7-20(27)8-10-21(23,24)11-9-20;1-2-3-5-16-14-17(20-18(22)6-4-13-25(16)20)19(26)8-7-15-9-11-21(23,24)12-10-15/h4,8,12-13,15-16,26H,2-3,5-7,9-11,14H2,1H3;3,5,11,13,27H,2,4,6-10,12,14H2,1H3;3-4,12,14,27H,2,5-11,13H2,1H3;4,6,13-15H,2-3,5,7-12H2,1H3/t15-,22+;;;/m1.../s1/i;;;1D3
InChIKeyYVGOKPUSQOXCOQ-CQPZYUPQSA-N
MW1586.62 g/mol
LogP22.64
Rot. Bonds29

About 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one

1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one (PubChem CID 162025084) has the molecular formula C85H106Cl4F6N4O9 and a molecular weight of 1586.62 g/mol. Its IUPAC name is 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one.

Molecular Properties

Compound Name1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
PubChem CID162025084
Molecular FormulaC85H106Cl4F6N4O9
Molecular Weight1586.62 g/mol
Exact Mass1583.68
IUPAC Name1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
SMILESCCOCCc1cc(C(=O)CCC2(O)CCC(F)(F)CC2)c2c(Cl)cccn12.CCOCCc1cc(C(=O)CCC2(O)CCCC(F)(F)C2)c2c(Cl)cccn12.C[C@@H]1CCC[C@](O)(CCC(=O)c2cc(C3CCC3)n3cccc(Cl)c23)C1.[2H]C([2H])([2H])CCCc1cc(C(=O)CCC2CCC(F)(F)CC2)c2c(Cl)cccn12
InChIInChI=1S/C22H28ClNO2.2C21H26ClF2NO3.C21H26ClF2NO/c1-15-5-3-10-22(26,14-15)11-9-20(25)17-13-19(16-6-2-7-16)24-12-4-8-18(23)21(17)24;1-2-28-12-7-15-13-16(19-17(22)5-3-11-25(15)19)18(26)6-10-20(27)8-4-9-21(23,24)14-20;1-2-28-13-6-15-14-16(19-17(22)4-3-12-25(15)19)18(26)5-7-20(27)8-10-21(23,24)11-9-20;1-2-3-5-16-14-17(20-18(22)6-4-13-25(16)20)19(26)8-7-15-9-11-21(23,24)12-10-15/h4,8,12-13,15-16,26H,2-3,5-7,9-11,14H2,1H3;3,5,11,13,27H,2,4,6-10,12,14H2,1H3;3-4,12,14,27H,2,5-11,13H2,1H3;4,6,13-15H,2-3,5,7-12H2,1H3/t15-,22+;;;/m1.../s1/i;;;1D3
InChIKeyYVGOKPUSQOXCOQ-CQPZYUPQSA-N
XLogP22.64
TPSA165.07 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001586.62
LogP ≤ 522.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one with MolForge

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Related Compounds

3-[(1S)-1-hydroxy-3-methylcyclohexyl]-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one
CID 158773494
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one
CID 157081558
1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one
CID 159043433
8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide
CID 118693067
8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
CID 118861259
1-[[1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]ethenylamino]methyl]-3-fluoro-3-methylcyclohexan-1-ol
CID 167131653
8-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
CID 118693014
1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone;1-fluoro-1,4-dimethylcyclohexane
CID 145010897
(E)-1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-4-(3,3-difluoro-1-hydroxycyclohexyl)but-2-en-1-one
CID 167131602
1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxy-3,3-dimethylcyclohexyl)-2-iminopropan-1-one
CID 145010917
(E)-1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)but-2-en-1-one
CID 167131685
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(2-methoxyethyl)-8-methylindolizine-1-carboxamide
CID 118861251

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?
The IUPAC name of 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one (CID 162025084) is 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one.
What is the SMILES notation for 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?
The canonical SMILES for 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one is CCOCCc1cc(C(=O)CCC2(O)CCC(F)(F)CC2)c2c(Cl)cccn12.CCOCCc1cc(C(=O)CCC2(O)CCCC(F)(F)C2)c2c(Cl)cccn12.C[C@@H]1CCC[C@](O)(CCC(=O)c2cc(C3CCC3)n3cccc(Cl)c23)C1.[2H]C([2H])([2H])CCCc1cc(C(=O)CCC2CCC(F)(F)CC2)c2c(Cl)cccn12.
What is the InChIKey of 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?
The InChIKey is YVGOKPUSQOXCOQ-CQPZYUPQSA-N. The full InChI is InChI=1S/C22H28ClNO2.2C21H26ClF2NO3.C21H26ClF2NO/c1-15-5-3-10-22(26,14-15)11-9-20(25)17-13-19(16-6-2-7-16)24-12-4-8-18(23)21(17)24;1-2-28-12-7-15-13-16(19-17(22)5-3-11-25(15)19)18(26)6-10-20(27)8-4-9-21(23,24)14-20;1-2-28-13-6-15-14-16(19-17(22)4-3-12-25(15)19)18(26)5-7-20(27)8-10-21(23,24)11-9-20;1-2-3-5-16-14-17(20-18(22)6-4-13-25(16)20)19(26)8-7-15-9-11-21(23,24)12-10-15/h4,8,12-13,15-16,26H,2-3,5-7,9-11,14H2,1H3;3,5,11,13,27H,2,4,6-10,12,14H2,1H3;3-4,12,14,27H,2,5-11,13H2,1H3;4,6,13-15H,2-3,5,7-12H2,1H3/t15-,22+;;;/m1.../s1/i;;;1D3.
What are the key properties of 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?
1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one has a molecular weight of 1586.62 g/mol, XLogP of 22.64, 29 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(4,4,4-trideuteriobutyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one is sourced from PubChem (CID 162025084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).