2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine

C75H64ClF17N20O8S4 — CID 158563207

IUPAC2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1c2c(Cl)cccc2nn1-c1nc2cc(C(C)(F)F)cnc2n1C.CCS(=O)(=O)c1c2ccc(C(F)(F)F)cc2nn1-c1nc2cc(C(C)(F)F)ncc2n1C.CCS(=O)(=O)c1nn(-c2nc3cc(C(C)(F)F)cnc3n2C)c2cc(C(F)(F)F)ccc12.CCS(=O)(=O)c1nn(-c2nc3cc(C(C)(F)F)cnc3n2C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/3C19H16F5N5O2S.C18H16ClF2N5O2S/c1-4-32(30,31)16-12-6-5-10(19(22,23)24)8-14(12)29(27-16)17-26-13-7-11(18(2,20)21)9-25-15(13)28(17)3;1-4-32(30,31)16-12-7-10(19(22,23)24)5-6-14(12)29(27-16)17-26-13-8-11(18(2,20)21)9-25-15(13)28(17)3;1-4-32(30,31)16-11-6-5-10(19(22,23)24)7-12(11)27-29(16)17-26-13-8-15(18(2,20)21)25-9-14(13)28(17)3;1-4-29(27,28)16-14-11(19)6-5-7-12(14)24-26(16)17-23-13-8-10(18(2,20)21)9-22-15(13)25(17)3/h3*5-9H,4H2,1-3H3;5-9H,4H2,1-3H3
InChIKeyHRDLZJBIBQWVNE-UHFFFAOYSA-N
MW1860.16 g/mol
LogP16.56
Rot. Bonds16

About 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine

2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine (PubChem CID 158563207) has the molecular formula C75H64ClF17N20O8S4 and a molecular weight of 1860.16 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine
PubChem CID158563207
Molecular FormulaC75H64ClF17N20O8S4
Molecular Weight1860.16 g/mol
Exact Mass1858.35
IUPAC Name2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1c2c(Cl)cccc2nn1-c1nc2cc(C(C)(F)F)cnc2n1C.CCS(=O)(=O)c1c2ccc(C(F)(F)F)cc2nn1-c1nc2cc(C(C)(F)F)ncc2n1C.CCS(=O)(=O)c1nn(-c2nc3cc(C(C)(F)F)cnc3n2C)c2cc(C(F)(F)F)ccc12.CCS(=O)(=O)c1nn(-c2nc3cc(C(C)(F)F)cnc3n2C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/3C19H16F5N5O2S.C18H16ClF2N5O2S/c1-4-32(30,31)16-12-6-5-10(19(22,23)24)8-14(12)29(27-16)17-26-13-7-11(18(2,20)21)9-25-15(13)28(17)3;1-4-32(30,31)16-12-7-10(19(22,23)24)5-6-14(12)29(27-16)17-26-13-8-11(18(2,20)21)9-25-15(13)28(17)3;1-4-32(30,31)16-11-6-5-10(19(22,23)24)7-12(11)27-29(16)17-26-13-8-15(18(2,20)21)25-9-14(13)28(17)3;1-4-29(27,28)16-14-11(19)6-5-7-12(14)24-26(16)17-23-13-8-10(18(2,20)21)9-22-15(13)25(17)3/h3*5-9H,4H2,1-3H3;5-9H,4H2,1-3H3
InChIKeyHRDLZJBIBQWVNE-UHFFFAOYSA-N
XLogP16.56
TPSA330.68 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001860.16
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine (CID 158563207) is 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine is CCS(=O)(=O)c1c2c(Cl)cccc2nn1-c1nc2cc(C(C)(F)F)cnc2n1C.CCS(=O)(=O)c1c2ccc(C(F)(F)F)cc2nn1-c1nc2cc(C(C)(F)F)ncc2n1C.CCS(=O)(=O)c1nn(-c2nc3cc(C(C)(F)F)cnc3n2C)c2cc(C(F)(F)F)ccc12.CCS(=O)(=O)c1nn(-c2nc3cc(C(C)(F)F)cnc3n2C)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine?
The InChIKey is HRDLZJBIBQWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H16F5N5O2S.C18H16ClF2N5O2S/c1-4-32(30,31)16-12-6-5-10(19(22,23)24)8-14(12)29(27-16)17-26-13-7-11(18(2,20)21)9-25-15(13)28(17)3;1-4-32(30,31)16-12-7-10(19(22,23)24)5-6-14(12)29(27-16)17-26-13-8-11(18(2,20)21)9-25-15(13)28(17)3;1-4-32(30,31)16-11-6-5-10(19(22,23)24)7-12(11)27-29(16)17-26-13-8-15(18(2,20)21)25-9-14(13)28(17)3;1-4-29(27,28)16-14-11(19)6-5-7-12(14)24-26(16)17-23-13-8-10(18(2,20)21)9-22-15(13)25(17)3/h3*5-9H,4H2,1-3H3;5-9H,4H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine?
2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine has a molecular weight of 1860.16 g/mol, XLogP of 16.56, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylsulfonylindazol-2-yl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-1-yl]-3-methylimidazo[4,5-b]pyridine;6-(1,1-difluoroethyl)-2-[3-ethylsulfonyl-6-(trifluoromethyl)indazol-2-yl]-3-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 158563207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).