N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate

C111H107F15N28O17S8 — CID 158231508

About N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate

N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate (PubChem CID 158231508) has the molecular formula C111H107F15N28O17S8 and a molecular weight of 2646.76 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate
• PubChem CID: 158231508
• Molecular Formula: C111H107F15N28O17S8
• Molecular Weight: 2646.76 g/mol
• Exact Mass: 2644.59
• IUPAC Name: N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate
• SMILES: CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CC(=O)OC3(C)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CC(=O)OCC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CC(=S)OCC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CS(=O)(=O)NC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=S)NC3CC3)ccn12
• InChI: InChI=1S/2C23H22F3N5O4S.C23H22F3N5O3S2.C21H20F3N7O2S2.C21H21F3N6O4S2/c1-4-36(33,34)21-18(20-28-15-11-14(23(24,25)26)12-27-19(15)30(20)3)29-16-9-13(5-8-31(16)21)10-17(32)35-22(2)6-7-22;1-3-36(33,34)22-19(21-28-16-10-15(23(24,25)26)11-27-20(16)30(21)2)29-17-8-14(6-7-31(17)22)9-18(32)35-12-13-4-5-13;1-3-36(32,33)22-19(21-28-16-10-15(23(24,25)26)11-27-20(16)30(21)2)29-17-8-14(6-7-31(17)22)9-18(35)34-12-13-4-5-13;1-3-35(32,33)19-16(18-28-14-8-11(21(22,23)24)10-25-17(14)30(18)2)29-15-9-13(6-7-31(15)19)27-20(34)26-12-4-5-12;1-3-35(31,32)20-17(19-26-15-9-13(21(22,23)24)10-25-18(15)29(19)2)27-16-8-12(6-7-30(16)20)11-36(33,34)28-14-4-5-14/h5,8-9,11-12H,4,6-7,10H2,1-3H3;2*6-8,10-11,13H,3-5,9,12H2,1-2H3;6-10,12H,3-5H2,1-2H3,(H2,26,27,34);6-10,14,28H,3-5,11H2,1-2H3
• InChIKey: GEKZHUJSVOFBQQ-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 542.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 32
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2646.76
LogP ≤ 5	17.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate?

The IUPAC name of N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate (CID 158231508) is N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate.

What is the SMILES notation for N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate?

The canonical SMILES for N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CC(=O)OC3(C)CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CC(=O)OCC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CC(=S)OCC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(CS(=O)(=O)NC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=S)NC3CC3)ccn12.

What is the InChIKey of N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate?

The InChIKey is GEKZHUJSVOFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22F3N5O4S.C23H22F3N5O3S2.C21H20F3N7O2S2.C21H21F3N6O4S2/c1-4-36(33,34)21-18(20-28-15-11-14(23(24,25)26)12-27-19(15)30(20)3)29-16-9-13(5-8-31(16)21)10-17(32)35-22(2)6-7-22;1-3-36(33,34)22-19(21-28-16-10-15(23(24,25)26)11-27-20(16)30(21)2)29-17-8-14(6-7-31(17)22)9-18(32)35-12-13-4-5-13;1-3-36(32,33)22-19(21-28-16-10-15(23(24,25)26)11-27-20(16)30(21)2)29-17-8-14(6-7-31(17)22)9-18(35)34-12-13-4-5-13;1-3-35(32,33)19-16(18-28-14-8-11(21(22,23)24)10-25-17(14)30(18)2)29-15-9-13(6-7-31(15)19)27-20(34)26-12-4-5-12;1-3-35(31,32)20-17(19-26-15-9-13(21(22,23)24)10-25-18(15)29(19)2)27-16-8-12(6-7-30(16)20)11-36(33,34)28-14-4-5-14/h5,8-9,11-12H,4,6-7,10H2,1-3H3;2*6-8,10-11,13H,3-5,9,12H2,1-2H3;6-10,12H,3-5H2,1-2H3,(H2,26,27,34);6-10,14,28H,3-5,11H2,1-2H3.

What are the key properties of N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate?

N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate has a molecular weight of 2646.76 g/mol, XLogP of 17.94, 32 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate is sourced from PubChem (CID 158231508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).