8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one

C81H98Cl2F9N5O12 — CID 158444423

About 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one (PubChem CID 158444423) has the molecular formula C81H98Cl2F9N5O12 and a molecular weight of 1575.59 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one
• PubChem CID: 158444423
• Molecular Formula: C81H98Cl2F9N5O12
• Molecular Weight: 1575.59 g/mol
• Exact Mass: 1573.64
• IUPAC Name: 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one
• SMILES: COCCc1cc(C(=O)CCC2(O)CCCC(F)(F)C2)c2c(C(F)(F)F)cccn12.COCCc1cc(C(=O)CCC2(O)CCCC(F)(F)C2)c2c(C)cccn12.COCCc1cc(C(=O)CCCC2(O)CCCC2)c2c(Cl)cccn12.O=C(NCC1CCC(F)(F)CC1)c1cc(C2(O)COC2)n2cccc(Cl)c12
• InChI: InChI=1S/C21H24F5NO3.C21H27F2NO3.C20H26ClNO3.C19H21ClF2N2O3/c1-30-11-6-14-12-15(18-16(21(24,25)26)4-2-10-27(14)18)17(28)5-9-19(29)7-3-8-20(22,23)13-19;1-15-5-3-11-24-16(7-12-27-2)13-17(19(15)24)18(25)6-10-20(26)8-4-9-21(22,23)14-20;1-25-13-8-15-14-16(19-17(21)6-5-12-22(15)19)18(23)7-4-11-20(24)9-2-3-10-20;20-14-2-1-7-24-15(18(26)10-27-11-18)8-13(16(14)24)17(25)23-9-12-3-5-19(21,22)6-4-12/h2,4,10,12,29H,3,5-9,11,13H2,1H3;3,5,11,13,26H,4,6-10,12,14H2,1-2H3;5-6,12,14,24H,2-4,7-11,13H2,1H3;1-2,7-8,12,26H,3-6,9-11H2,(H,23,25)
• InChIKey: HDFCWUFMULHBFZ-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 215.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1575.59
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one?

The IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one (CID 158444423) is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one.

What is the SMILES notation for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one?

The canonical SMILES for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one is COCCc1cc(C(=O)CCC2(O)CCCC(F)(F)C2)c2c(C(F)(F)F)cccn12.COCCc1cc(C(=O)CCC2(O)CCCC(F)(F)C2)c2c(C)cccn12.COCCc1cc(C(=O)CCCC2(O)CCCC2)c2c(Cl)cccn12.O=C(NCC1CCC(F)(F)CC1)c1cc(C2(O)COC2)n2cccc(Cl)c12.

What is the InChIKey of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one?

The InChIKey is HDFCWUFMULHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F5NO3.C21H27F2NO3.C20H26ClNO3.C19H21ClF2N2O3/c1-30-11-6-14-12-15(18-16(21(24,25)26)4-2-10-27(14)18)17(28)5-9-19(29)7-3-8-20(22,23)13-19;1-15-5-3-11-24-16(7-12-27-2)13-17(19(15)24)18(25)6-10-20(26)8-4-9-21(22,23)14-20;1-25-13-8-15-14-16(19-17(21)6-5-12-22(15)19)18(23)7-4-11-20(24)9-2-3-10-20;20-14-2-1-7-24-15(18(26)10-27-11-18)8-13(16(14)24)17(25)23-9-12-3-5-19(21,22)6-4-12/h2,4,10,12,29H,3,5-9,11,13H2,1H3;3,5,11,13,26H,4,6-10,12,14H2,1-2H3;5-6,12,14,24H,2-4,7-11,13H2,1H3;1-2,7-8,12,26H,3-6,9-11H2,(H,23,25).

What are the key properties of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one?

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one has a molecular weight of 1575.59 g/mol, XLogP of 17.20, 26 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-4-(1-hydroxycyclopentyl)butan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-methylindolizin-1-yl]propan-1-one;3-(3,3-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one is sourced from PubChem (CID 158444423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).