1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone

C131H148F14N10O20S5 — CID 164983428

About 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone

1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone (PubChem CID 164983428) has the molecular formula C131H148F14N10O20S5 and a molecular weight of 2608.98 g/mol. Its IUPAC name is 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone
• PubChem CID: 164983428
• Molecular Formula: C131H148F14N10O20S5
• Molecular Weight: 2608.98 g/mol
• Exact Mass: 2606.93
• IUPAC Name: 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone
• SMILES: C=C1N(c2cc(OC(F)(F)C(F)F)c(F)cn2)c2ccc(C(=O)CC3(C)CCS(=O)(=O)CC3)cc2C1(C)C.C=C1N(c2cc(OC(F)F)ccn2)c2cc(F)c(C(=O)CC3(C)CCS(=O)(=O)CC3)cc2C1(C)C.C=C1N(c2cc(OCC(C)(C)F)ccn2)c2cc(F)c(C(=O)CC3(C)CCS(=O)(=O)CC3)cc2C1(C)C.C=C1N(c2cc(OCC(F)F)ccn2)c2cc(F)c(C(=O)CC3(C)CCS(=O)(=O)CC3)cc2C1(C)C.CC1(CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(C(C)(C)F)ccn2)CCS(=O)(=O)CC1
• InChI: InChI=1S/C28H34F2N2O4S.C26H27F5N2O4S.C26H29F3N2O4S.C26H31FN2O4S.C25H27F3N2O4S/c1-18-27(4,5)21-14-20(24(33)16-28(6)8-11-37(34,35)12-9-28)22(29)15-23(21)32(18)25-13-19(7-10-31-25)36-17-26(2,3)30;1-15-24(2,3)17-11-16(20(34)13-25(4)7-9-38(35,36)10-8-25)5-6-19(17)33(15)22-12-21(18(27)14-32-22)37-26(30,31)23(28)29;1-16-25(2,3)19-12-18(22(32)14-26(4)6-9-36(33,34)10-7-26)20(27)13-21(19)31(16)24-11-17(5-8-30-24)35-15-23(28)29;1-24(2)19-14-17(21(30)16-26(5)9-12-34(32,33)13-10-26)6-7-20(19)29(23(24)31)22-15-18(8-11-28-22)25(3,4)27;1-15-24(2,3)18-12-17(21(31)14-25(4)6-9-35(32,33)10-7-25)19(26)13-20(18)30(15)22-11-16(5-8-29-22)34-23(27)28/h7,10,13-15H,1,8-9,11-12,16-17H2,2-6H3;5-6,11-12,14,23H,1,7-10,13H2,2-4H3;5,8,11-13,23H,1,6-7,9-10,14-15H2,2-4H3;6-8,11,14-15H,9-10,12-13,16H2,1-5H3;5,8,11-13,23H,1,6-7,9-10,14H2,2-4H3
• InChIKey: FUVYHJUDHJGHGO-UHFFFAOYSA-N
• XLogP: 28.44
• TPSA: 390.69 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2608.98
LogP ≤ 5	28.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone?

The IUPAC name of 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone (CID 164983428) is 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone.

What is the SMILES notation for 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone?

The canonical SMILES for 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone is C=C1N(c2cc(OC(F)(F)C(F)F)c(F)cn2)c2ccc(C(=O)CC3(C)CCS(=O)(=O)CC3)cc2C1(C)C.C=C1N(c2cc(OC(F)F)ccn2)c2cc(F)c(C(=O)CC3(C)CCS(=O)(=O)CC3)cc2C1(C)C.C=C1N(c2cc(OCC(C)(C)F)ccn2)c2cc(F)c(C(=O)CC3(C)CCS(=O)(=O)CC3)cc2C1(C)C.C=C1N(c2cc(OCC(F)F)ccn2)c2cc(F)c(C(=O)CC3(C)CCS(=O)(=O)CC3)cc2C1(C)C.CC1(CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cc(C(C)(C)F)ccn2)CCS(=O)(=O)CC1.

What is the InChIKey of 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone?

The InChIKey is FUVYHJUDHJGHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N2O4S.C26H27F5N2O4S.C26H29F3N2O4S.C26H31FN2O4S.C25H27F3N2O4S/c1-18-27(4,5)21-14-20(24(33)16-28(6)8-11-37(34,35)12-9-28)22(29)15-23(21)32(18)25-13-19(7-10-31-25)36-17-26(2,3)30;1-15-24(2,3)17-11-16(20(34)13-25(4)7-9-38(35,36)10-8-25)5-6-19(17)33(15)22-12-21(18(27)14-32-22)37-26(30,31)23(28)29;1-16-25(2,3)19-12-18(22(32)14-26(4)6-9-36(33,34)10-7-26)20(27)13-21(19)31(16)24-11-17(5-8-30-24)35-15-23(28)29;1-24(2)19-14-17(21(30)16-26(5)9-12-34(32,33)13-10-26)6-7-20(19)29(23(24)31)22-15-18(8-11-28-22)25(3,4)27;1-15-24(2,3)18-12-17(21(31)14-25(4)6-9-35(32,33)10-7-25)19(26)13-20(18)30(15)22-11-16(5-8-29-22)34-23(27)28/h7,10,13-15H,1,8-9,11-12,16-17H2,2-6H3;5-6,11-12,14,23H,1,7-10,13H2,2-4H3;5,8,11-13,23H,1,6-7,9-10,14-15H2,2-4H3;6-8,11,14-15H,9-10,12-13,16H2,1-5H3;5,8,11-13,23H,1,6-7,9-10,14H2,2-4H3.

What are the key properties of 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone?

1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone has a molecular weight of 2608.98 g/mol, XLogP of 28.44, 32 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[1-[4-(difluoromethoxy)-2-pyridinyl]-6-fluoro-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[6-fluoro-1-[4-(2-fluoro-2-methylpropoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone;1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-3,3-dimethyl-5-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]indol-2-one;1-[1-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]-3,3-dimethyl-2-methylideneindol-5-yl]-2-(4-methyl-1,1-dioxothian-4-yl)ethanone is sourced from PubChem (CID 164983428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).