azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

C92H82Br2F12I2N14O8 — CID 167669686

About azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (PubChem CID 167669686) has the molecular formula C92H82Br2F12I2N14O8 and a molecular weight of 2153.35 g/mol. Its IUPAC name is azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
• PubChem CID: 167669686
• Molecular Formula: C92H82Br2F12I2N14O8
• Molecular Weight: 2153.35 g/mol
• Exact Mass: 2150.27
• IUPAC Name: azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
• SMILES: C.CCc1ccc(OC(F)(F)F)cc1.COc1c(C)c(-c2cn3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3n2)nc2ccccc12.COc1c(C)c(C(=O)CBr)nc2ccccc12.Cc1c(-c2cn3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3n2)[nH]c2ccccc2c1=O.II.N.N#N.Nc1cc(Br)ccn1.Nc1cc(Cc2ccc(OC(F)(F)F)cc2)ccn1
• InChI: InChI=1S/C26H20F3N3O2.C25H18F3N3O2.C13H12BrNO2.C13H11F3N2O.C9H9F3O.C5H5BrN2.CH4.I2.N2.H3N/c1-16-24(31-21-6-4-3-5-20(21)25(16)33-2)22-15-32-12-11-18(14-23(32)30-22)13-17-7-9-19(10-8-17)34-26(27,28)29;1-15-23(30-20-5-3-2-4-19(20)24(15)32)21-14-31-11-10-17(13-22(31)29-21)12-16-6-8-18(9-7-16)33-25(26,27)28;1-8-12(11(16)7-14)15-10-6-4-3-5-9(10)13(8)17-2;14-13(15,16)19-11-3-1-9(2-4-11)7-10-5-6-18-12(17)8-10;1-2-7-3-5-8(6-4-7)13-9(10,11)12;6-4-1-2-8-5(7)3-4;;2*1-2;/h3-12,14-15H,13H2,1-2H3;2-11,13-14H,12H2,1H3,(H,30,32);3-6H,7H2,1-2H3;1-6,8H,7H2,(H2,17,18);3-6H,2H2,1H3;1-3H,(H2,7,8);1H4;;;1H3
• InChIKey: UIGICAQTQKYTMR-UHFFFAOYSA-N
• XLogP: 25.45
• TPSA: 326.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2153.35
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?

The IUPAC name of azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (CID 167669686) is azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.

What is the SMILES notation for azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?

The canonical SMILES for azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is C.CCc1ccc(OC(F)(F)F)cc1.COc1c(C)c(-c2cn3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3n2)nc2ccccc12.COc1c(C)c(C(=O)CBr)nc2ccccc12.Cc1c(-c2cn3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3n2)[nH]c2ccccc2c1=O.II.N.N#N.Nc1cc(Br)ccn1.Nc1cc(Cc2ccc(OC(F)(F)F)cc2)ccn1.

What is the InChIKey of azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?

The InChIKey is UIGICAQTQKYTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O2.C25H18F3N3O2.C13H12BrNO2.C13H11F3N2O.C9H9F3O.C5H5BrN2.CH4.I2.N2.H3N/c1-16-24(31-21-6-4-3-5-20(21)25(16)33-2)22-15-32-12-11-18(14-23(32)30-22)13-17-7-9-19(10-8-17)34-26(27,28)29;1-15-23(30-20-5-3-2-4-19(20)24(15)32)21-14-31-11-10-17(13-22(31)29-21)12-16-6-8-18(9-7-16)33-25(26,27)28;1-8-12(11(16)7-14)15-10-6-4-3-5-9(10)13(8)17-2;14-13(15,16)19-11-3-1-9(2-4-11)7-10-5-6-18-12(17)8-10;1-2-7-3-5-8(6-4-7)13-9(10,11)12;6-4-1-2-8-5(7)3-4;;2*1-2;/h3-12,14-15H,13H2,1-2H3;2-11,13-14H,12H2,1H3,(H,30,32);3-6H,7H2,1-2H3;1-6,8H,7H2,(H2,17,18);3-6H,2H2,1H3;1-3H,(H2,7,8);1H4;;;1H3.

What are the key properties of azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?

azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine has a molecular weight of 2153.35 g/mol, XLogP of 25.45, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 167669686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).