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

C71H58F18N22O9S4 — CID 159868030

IUPAC2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate
SMILESCCS(=O)(=O)c1c2ccc(NC(C)=O)cc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1c2ccncc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1nn(-c2nc3cc(C(F)(F)F)cnc3n2C)c2cccc(C(F)(F)F)c12.CCS(=O)c1c2c(C(F)(F)F)cccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.O
InChIInChI=1S/C19H17F3N6O3S.C18H13F6N5O2S.C18H13F6N5OS.C16H13F3N6O2S.H2O/c1-4-32(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;1-3-32(30,31)15-13-10(18(22,23)24)5-4-6-12(13)29(27-15)16-26-11-7-9(17(19,20)21)8-25-14(11)28(16)2;1-3-31(30)15-13-10(18(22,23)24)5-4-6-11(13)27-29(15)16-26-12-7-9(17(19,20)21)8-25-14(12)28(16)2;1-3-28(26,27)14-10-4-5-20-8-12(10)23-25(14)15-22-11-6-9(16(17,18)19)7-21-13(11)24(15)2;/h5-9H,4H2,1-3H3,(H,24,29);4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;1H2
InChIKeyBXOSPPHGJPNQDB-UHFFFAOYSA-N
MW1833.62 g/mol
LogP13.38
Rot. Bonds13

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

2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate (PubChem CID 159868030) has the molecular formula C71H58F18N22O9S4 and a molecular weight of 1833.62 g/mol. Its IUPAC name is 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate.

Molecular Properties

Compound Name2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate
PubChem CID159868030
Molecular FormulaC71H58F18N22O9S4
Molecular Weight1833.62 g/mol
Exact Mass1832.34
IUPAC Name2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate
SMILESCCS(=O)(=O)c1c2ccc(NC(C)=O)cc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1c2ccncc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1nn(-c2nc3cc(C(F)(F)F)cnc3n2C)c2cccc(C(F)(F)F)c12.CCS(=O)c1c2c(C(F)(F)F)cccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.O
InChIInChI=1S/C19H17F3N6O3S.C18H13F6N5O2S.C18H13F6N5OS.C16H13F3N6O2S.H2O/c1-4-32(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;1-3-32(30,31)15-13-10(18(22,23)24)5-4-6-12(13)29(27-15)16-26-11-7-9(17(19,20)21)8-25-14(11)28(16)2;1-3-31(30)15-13-10(18(22,23)24)5-4-6-11(13)27-29(15)16-26-12-7-9(17(19,20)21)8-25-14(12)28(16)2;1-3-28(26,27)14-10-4-5-20-8-12(10)23-25(14)15-22-11-6-9(16(17,18)19)7-21-13(11)24(15)2;/h5-9H,4H2,1-3H3,(H,24,29);4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;1H2
InChIKeyBXOSPPHGJPNQDB-UHFFFAOYSA-N
XLogP13.38
TPSA387.10 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds13
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.62
LogP ≤ 513.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate?
The IUPAC name of 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate (CID 159868030) is 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate.
What is the SMILES notation for 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate?
The canonical SMILES for 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate is CCS(=O)(=O)c1c2ccc(NC(C)=O)cc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1c2ccncc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1nn(-c2nc3cc(C(F)(F)F)cnc3n2C)c2cccc(C(F)(F)F)c12.CCS(=O)c1c2c(C(F)(F)F)cccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.O.
What is the InChIKey of 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate?
The InChIKey is BXOSPPHGJPNQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O3S.C18H13F6N5O2S.C18H13F6N5OS.C16H13F3N6O2S.H2O/c1-4-32(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;1-3-32(30,31)15-13-10(18(22,23)24)5-4-6-12(13)29(27-15)16-26-11-7-9(17(19,20)21)8-25-14(11)28(16)2;1-3-31(30)15-13-10(18(22,23)24)5-4-6-11(13)27-29(15)16-26-12-7-9(17(19,20)21)8-25-14(12)28(16)2;1-3-28(26,27)14-10-4-5-20-8-12(10)23-25(14)15-22-11-6-9(16(17,18)19)7-21-13(11)24(15)2;/h5-9H,4H2,1-3H3,(H,24,29);4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;4-8H,3H2,1-2H3;1H2.
What are the key properties of 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate?
2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate has a molecular weight of 1833.62 g/mol, XLogP of 13.38, 13 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide;2-(3-ethylsulfonylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-4-(trifluoromethyl)indazol-1-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;hydrate is sourced from PubChem (CID 159868030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).