2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile

C83H74F12N22O13S7 — CID 159235317

IUPAC2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(C(=O)CNC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(S(=O)(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(SC(F)(F)F)cnc3n2C)nc2cc(S(=O)(=O)C3CC3)ccn12
InChIInChI=1S/C22H21F3N6O3S.C21H17F3N6O2S.C20H18F3N5O4S3.C20H18F3N5O4S2/c1-3-35(33,34)21-18(20-28-15-9-13(22(23,24)25)10-27-19(15)30(20)2)29-17-8-12(6-7-31(17)21)16(32)11-26-14-4-5-14;1-3-33(31,32)19-16(28-15-9-12(4-7-30(15)19)20(11-25)5-6-20)18-27-14-8-13(21(22,23)24)10-26-17(14)29(18)2;1-3-34(29,30)19-16(26-15-9-13(6-7-28(15)19)35(31,32)12-4-5-12)18-25-14-8-11(33-20(21,22)23)10-24-17(14)27(18)2;1-3-33(29,30)19-16(18-25-14-8-11(20(21,22)23)10-24-17(14)27(18)2)26-15-9-13(6-7-28(15)19)34(31,32)12-4-5-12/h6-10,14,26H,3-5,11H2,1-2H3;4,7-10H,3,5-6H2,1-2H3;6-10,12H,3-5H2,1-2H3;6-10,12H,3-5H2,1-2H3
InChIKeyKTJZBLWGUWDMLI-UHFFFAOYSA-N
MW2040.09 g/mol
LogP13.34
Rot. Bonds22

About 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile

2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile (PubChem CID 159235317) has the molecular formula C83H74F12N22O13S7 and a molecular weight of 2040.09 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
PubChem CID159235317
Molecular FormulaC83H74F12N22O13S7
Molecular Weight2040.09 g/mol
Exact Mass2038.37
IUPAC Name2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(C(=O)CNC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(S(=O)(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(SC(F)(F)F)cnc3n2C)nc2cc(S(=O)(=O)C3CC3)ccn12
InChIInChI=1S/C22H21F3N6O3S.C21H17F3N6O2S.C20H18F3N5O4S3.C20H18F3N5O4S2/c1-3-35(33,34)21-18(20-28-15-9-13(22(23,24)25)10-27-19(15)30(20)2)29-17-8-12(6-7-31(17)21)16(32)11-26-14-4-5-14;1-3-33(31,32)19-16(28-15-9-12(4-7-30(15)19)20(11-25)5-6-20)18-27-14-8-13(21(22,23)24)10-26-17(14)29(18)2;1-3-34(29,30)19-16(26-15-9-13(6-7-28(15)19)35(31,32)12-4-5-12)18-25-14-8-11(33-20(21,22)23)10-24-17(14)27(18)2;1-3-33(29,30)19-16(18-25-14-8-11(20(21,22)23)10-24-17(14)27(18)2)26-15-9-13(6-7-28(15)19)34(31,32)12-4-5-12/h6-10,14,26H,3-5,11H2,1-2H3;4,7-10H,3,5-6H2,1-2H3;6-10,12H,3-5H2,1-2H3;6-10,12H,3-5H2,1-2H3
InChIKeyKTJZBLWGUWDMLI-UHFFFAOYSA-N
XLogP13.34
TPSA449.77 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms137
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002040.09
LogP ≤ 513.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile (CID 159235317) is 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(C(=O)CNC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(S(=O)(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(SC(F)(F)F)cnc3n2C)nc2cc(S(=O)(=O)C3CC3)ccn12.
What is the InChIKey of 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile?
The InChIKey is KTJZBLWGUWDMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O3S.C21H17F3N6O2S.C20H18F3N5O4S3.C20H18F3N5O4S2/c1-3-35(33,34)21-18(20-28-15-9-13(22(23,24)25)10-27-19(15)30(20)2)29-17-8-12(6-7-31(17)21)16(32)11-26-14-4-5-14;1-3-33(31,32)19-16(28-15-9-12(4-7-30(15)19)20(11-25)5-6-20)18-27-14-8-13(21(22,23)24)10-26-17(14)29(18)2;1-3-34(29,30)19-16(26-15-9-13(6-7-28(15)19)35(31,32)12-4-5-12)18-25-14-8-11(33-20(21,22)23)10-24-17(14)27(18)2;1-3-33(29,30)19-16(18-25-14-8-11(20(21,22)23)10-24-17(14)27(18)2)26-15-9-13(6-7-28(15)19)34(31,32)12-4-5-12/h6-10,14,26H,3-5,11H2,1-2H3;4,7-10H,3,5-6H2,1-2H3;6-10,12H,3-5H2,1-2H3;6-10,12H,3-5H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile?
2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile has a molecular weight of 2040.09 g/mol, XLogP of 13.34, 22 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 159235317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).