2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate

C74H67F15N22O9S4 — CID 160870181

About 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate

2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate (PubChem CID 160870181) has the molecular formula C74H67F15N22O9S4 and a molecular weight of 1821.73 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate.

Molecular Properties

• Compound Name: 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate
• PubChem CID: 160870181
• Molecular Formula: C74H67F15N22O9S4
• Molecular Weight: 1821.73 g/mol
• Exact Mass: 1820.41
• IUPAC Name: 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate
• SMILES: CCS(=O)(=O)c1c2ccc(NC(C)=O)cc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1c2ccncc2nn1-c1nc2cc(C(C)(F)F)cnc2n1C.CCS(=O)(=O)c1nn(-c2nc3cc(C(C)(F)F)cnc3n2C)c2cccc(C(F)(F)F)c12.CCS(=O)c1c2c(C(C)(F)F)cccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.O
• InChI: InChI=1S/C19H16F5N5O2S.C19H16F5N5OS.C19H17F3N6O3S.C17H16F2N6O2S.H2O/c1-4-32(30,31)16-14-11(19(22,23)24)6-5-7-13(14)29(27-16)17-26-12-8-10(18(2,20)21)9-25-15(12)28(17)3;1-4-31(30)16-14-11(18(2,20)21)6-5-7-12(14)27-29(16)17-26-13-8-10(19(22,23)24)9-25-15(13)28(17)3;1-4-32(30,31)17-13-6-5-12(24-10(2)29)8-14(13)26-28(17)18-25-15-7-11(19(20,21)22)9-23-16(15)27(18)3;1-4-28(26,27)15-11-5-6-20-9-13(11)23-25(15)16-22-12-7-10(17(2,18)19)8-21-14(12)24(16)3;/h5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3,(H,24,29);5-9H,4H2,1-3H3;1H2
• InChIKey: YLFPHXWLUYTTCW-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 387.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.73
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate?

The IUPAC name of 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate (CID 160870181) is 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate.

What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate?

The canonical SMILES for 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate is CCS(=O)(=O)c1c2ccc(NC(C)=O)cc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1c2ccncc2nn1-c1nc2cc(C(C)(F)F)cnc2n1C.CCS(=O)(=O)c1nn(-c2nc3cc(C(C)(F)F)cnc3n2C)c2cccc(C(F)(F)F)c12.CCS(=O)c1c2c(C(C)(F)F)cccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.O.

What is the InChIKey of 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate?

The InChIKey is YLFPHXWLUYTTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N5O2S.C19H16F5N5OS.C19H17F3N6O3S.C17H16F2N6O2S.H2O/c1-4-32(30,31)16-14-11(19(22,23)24)6-5-7-13(14)29(27-16)17-26-12-8-10(18(2,20)21)9-25-15(12)28(17)3;1-4-31(30)16-14-11(18(2,20)21)6-5-7-12(14)27-29(16)17-26-13-8-10(19(22,23)24)9-25-15(13)28(17)3;1-4-32(30,31)17-13-6-5-12(24-10(2)29)8-14(13)26-28(17)18-25-15-7-11(19(20,21)22)9-23-16(15)27(18)3;1-4-28(26,27)15-11-5-6-20-9-13(11)23-25(15)16-22-12-7-10(17(2,18)19)8-21-14(12)24(16)3;/h5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3,(H,24,29);5-9H,4H2,1-3H3;1H2.

What are the key properties of 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate?

2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate has a molecular weight of 1821.73 g/mol, XLogP of 13.66, 16 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,1-difluoroethyl)-3-ethylsulfinylindazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;hydrate is sourced from PubChem (CID 160870181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).