2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate

C85H77F12N21O15S7 — CID 158818140

About 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate

2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 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 158818140) has the molecular formula C85H77F12N21O15S7 and a molecular weight of 2085.13 g/mol. Its IUPAC name is 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 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: 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 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: 158818140
• Molecular Formula: C85H77F12N21O15S7
• Molecular Weight: 2085.13 g/mol
• Exact Mass: 2083.38
• IUPAC Name: 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate
• SMILES: C=CCOC(=O)Cc1ccn2c(S(=O)(=O)CC)c(-c3nc4cc(C(F)(F)F)cnc4n3C)nc2c1.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(/C=C/C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(S(=O)(=O)C(F)(F)F)cnc3n2C)nc2cc(S(=O)(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(SC(F)(F)F)cnc3n2C)nc2cc(NC(=O)C3CC3)ccn12
• InChI: InChI=1S/C22H20F3N5O4S.C22H20F3N5O2S.C21H19F3N6O3S2.C20H18F3N5O6S3/c1-4-8-34-17(31)10-13-6-7-30-16(9-13)28-18(21(30)35(32,33)5-2)20-27-15-11-14(22(23,24)25)12-26-19(15)29(20)3;1-3-33(31,32)21-18(28-17-10-14(8-9-30(17)21)7-6-13-4-5-13)20-27-16-11-15(22(23,24)25)12-26-19(16)29(20)2;1-3-35(32,33)20-16(28-15-8-12(6-7-30(15)20)26-19(31)11-4-5-11)18-27-14-9-13(34-21(22,23)24)10-25-17(14)29(18)2;1-3-35(29,30)19-16(26-15-9-12(6-7-28(15)19)36(31,32)11-4-5-11)18-25-14-8-13(10-24-17(14)27(18)2)37(33,34)20(21,22)23/h4,6-7,9,11-12H,1,5,8,10H2,2-3H3;6-13H,3-5H2,1-2H3;6-11H,3-5H2,1-2H3,(H,26,31);6-11H,3-5H2,1-2H3/b;7-6+
• InChIKey: IVNLUVBZGJGYCG-MEAFHCEDSA-N
• XLogP: 14.23
• TPSA: 452.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.13
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 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 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate (CID 158818140) is 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 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 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 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 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate is C=CCOC(=O)Cc1ccn2c(S(=O)(=O)CC)c(-c3nc4cc(C(F)(F)F)cnc4n3C)nc2c1.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(/C=C/C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(S(=O)(=O)C(F)(F)F)cnc3n2C)nc2cc(S(=O)(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(SC(F)(F)F)cnc3n2C)nc2cc(NC(=O)C3CC3)ccn12.

What is the InChIKey of 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 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 IVNLUVBZGJGYCG-MEAFHCEDSA-N. The full InChI is InChI=1S/C22H20F3N5O4S.C22H20F3N5O2S.C21H19F3N6O3S2.C20H18F3N5O6S3/c1-4-8-34-17(31)10-13-6-7-30-16(9-13)28-18(21(30)35(32,33)5-2)20-27-15-11-14(22(23,24)25)12-26-19(15)29(20)3;1-3-33(31,32)21-18(28-17-10-14(8-9-30(17)21)7-6-13-4-5-13)20-27-16-11-15(22(23,24)25)12-26-19(16)29(20)2;1-3-35(32,33)20-16(28-15-8-12(6-7-30(15)20)26-19(31)11-4-5-11)18-27-14-9-13(34-21(22,23)24)10-25-17(14)29(18)2;1-3-35(29,30)19-16(26-15-9-12(6-7-28(15)19)36(31,32)11-4-5-11)18-25-14-8-13(10-24-17(14)27(18)2)37(33,34)20(21,22)23/h4,6-7,9,11-12H,1,5,8,10H2,2-3H3;6-13H,3-5H2,1-2H3;6-11H,3-5H2,1-2H3,(H,26,31);6-11H,3-5H2,1-2H3/b;7-6+;;.

What are the key properties of 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate?

2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 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 2085.13 g/mol, XLogP of 14.23, 24 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[(E)-2-cyclopropylethenyl]-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-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 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 158818140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).