1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide

C104H85F19N32O13S6 — CID 158029675

IUPAC1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)nnc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)nnc3n2C)nc2cc(NS(=O)(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nc2cc(C3(C#N)CC3)ccn12
InChIInChI=1S/2C22H17F5N6O2S.C21H17F3N6O3S.C20H16F3N7O2S.C19H18F3N7O4S2/c1-3-36(34,35)19-16(31-15-9-12(4-7-33(15)19)20(11-28)5-6-20)18-30-14-8-13(10-29-17(14)32(18)2)21(23,24)22(25,26)27;1-3-36(34,35)19-17(31-16-8-12(4-7-33(16)19)20(11-28)5-6-20)18-30-13-9-15(21(23,24)22(25,26)27)29-10-14(13)32(18)2;1-3-34(31,32)19-16(28-15-8-12(4-7-30(15)19)20(11-25)5-6-20)18-27-14-9-13(33-21(22,23)24)10-26-17(14)29(18)2;1-3-33(31,32)18-15(26-14-8-11(4-7-30(14)18)19(10-24)5-6-19)17-25-12-9-13(20(21,22)23)27-28-16(12)29(17)2;1-3-34(30,31)18-15(17-23-12-9-13(19(20,21)22)25-26-16(12)28(17)2)24-14-8-10(6-7-29(14)18)27-35(32,33)11-4-5-11/h2*4,7-10H,3,5-6H2,1-2H3;4,7-10H,3,5-6H2,1-2H3;4,7-9H,3,5-6H2,1-2H3;6-9,11,27H,3-5H2,1-2H3
InChIKeyFHAKDRHPAPHAAX-UHFFFAOYSA-N
MW2544.40 g/mol
LogP17.54
Rot. Bonds25

About 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide

1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide (PubChem CID 158029675) has the molecular formula C104H85F19N32O13S6 and a molecular weight of 2544.40 g/mol. Its IUPAC name is 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide.

Molecular Properties

Compound Name1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide
PubChem CID158029675
Molecular FormulaC104H85F19N32O13S6
Molecular Weight2544.40 g/mol
Exact Mass2542.50
IUPAC Name1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)nnc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)nnc3n2C)nc2cc(NS(=O)(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nc2cc(C3(C#N)CC3)ccn12
InChIInChI=1S/2C22H17F5N6O2S.C21H17F3N6O3S.C20H16F3N7O2S.C19H18F3N7O4S2/c1-3-36(34,35)19-16(31-15-9-12(4-7-33(15)19)20(11-28)5-6-20)18-30-14-8-13(10-29-17(14)32(18)2)21(23,24)22(25,26)27;1-3-36(34,35)19-17(31-16-8-12(4-7-33(16)19)20(11-28)5-6-20)18-30-13-9-15(21(23,24)22(25,26)27)29-10-14(13)32(18)2;1-3-34(31,32)19-16(28-15-8-12(4-7-30(15)19)20(11-25)5-6-20)18-27-14-9-13(33-21(22,23)24)10-26-17(14)29(18)2;1-3-33(31,32)18-15(26-14-8-11(4-7-30(14)18)19(10-24)5-6-19)17-25-12-9-13(20(21,22)23)27-28-16(12)29(17)2;1-3-34(30,31)18-15(17-23-12-9-13(19(20,21)22)25-26-16(12)28(17)2)24-14-8-10(6-7-29(14)18)27-35(32,33)11-4-5-11/h2*4,7-10H,3,5-6H2,1-2H3;4,7-10H,3,5-6H2,1-2H3;4,7-9H,3,5-6H2,1-2H3;6-9,11,27H,3-5H2,1-2H3
InChIKeyFHAKDRHPAPHAAX-UHFFFAOYSA-N
XLogP17.54
TPSA587.09 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds25
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002544.40
LogP ≤ 517.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

2-(3-Ethylsulfonyl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 159880211
3-Methyl-6-[2-(6-methyl-2-pyridinyl)indol-1-yl]imidazo[1,2-a]pyridine;6-[5-(1-methylpyrazol-3-yl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;[3-(1-methylpyrazol-3-yl)-2-pyridinyl] trifluoromethanesulfonate;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;[2-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl] trifluoromethanesulfonate
CID 160127380
tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 158576976

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide?
The IUPAC name of 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide (CID 158029675) is 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide.
What is the SMILES notation for 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide?
The canonical SMILES for 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)nnc3n2C)nc2cc(C3(C#N)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)nnc3n2C)nc2cc(NS(=O)(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nc2cc(C3(C#N)CC3)ccn12.
What is the InChIKey of 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide?
The InChIKey is FHAKDRHPAPHAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17F5N6O2S.C21H17F3N6O3S.C20H16F3N7O2S.C19H18F3N7O4S2/c1-3-36(34,35)19-16(31-15-9-12(4-7-33(15)19)20(11-28)5-6-20)18-30-14-8-13(10-29-17(14)32(18)2)21(23,24)22(25,26)27;1-3-36(34,35)19-17(31-16-8-12(4-7-33(16)19)20(11-28)5-6-20)18-30-13-9-15(21(23,24)22(25,26)27)29-10-14(13)32(18)2;1-3-34(31,32)19-16(28-15-8-12(4-7-30(15)19)20(11-25)5-6-20)18-27-14-9-13(33-21(22,23)24)10-26-17(14)29(18)2;1-3-33(31,32)18-15(26-14-8-11(4-7-30(14)18)19(10-24)5-6-19)17-25-12-9-13(20(21,22)23)27-28-16(12)29(17)2;1-3-34(30,31)18-15(17-23-12-9-13(19(20,21)22)25-26-16(12)28(17)2)24-14-8-10(6-7-29(14)18)27-35(32,33)11-4-5-11/h2*4,7-10H,3,5-6H2,1-2H3;4,7-10H,3,5-6H2,1-2H3;4,7-9H,3,5-6H2,1-2H3;6-9,11,27H,3-5H2,1-2H3.
What are the key properties of 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide?
1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide has a molecular weight of 2544.40 g/mol, XLogP of 17.54, 25 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide is sourced from PubChem (CID 158029675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).