2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate

C93H82Br2F12N10O11 — CID 167552750

IUPAC2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate
SMILESC.CCc1ccc(OC(F)(F)F)cc1.COc1c(C)c(-c2cn3cc(Cc4ccc(OC(F)(F)F)cc4)ccc3n2)nc2ccccc12.COc1c(C)c(C(=O)CBr)cc2ccccc12.Cc1c(-c2cn3cc(Cc4ccc(OC(F)(F)F)cc4)ccc3n2)[nH]c2ccccc2c1=O.Nc1ccc(Br)cn1.Nc1ccc(Cc2ccc(OC(F)(F)F)cc2)cn1.O.O=O
InChIInChI=1S/C26H20F3N3O2.C25H18F3N3O2.C14H13BrO2.C13H11F3N2O.C9H9F3O.C5H5BrN2.CH4.O2.H2O/c1-16-24(31-21-6-4-3-5-20(21)25(16)33-2)22-15-32-14-18(9-12-23(32)30-22)13-17-7-10-19(11-8-17)34-26(27,28)29;1-15-23(30-20-5-3-2-4-19(20)24(15)32)21-14-31-13-17(8-11-22(31)29-21)12-16-6-9-18(10-7-16)33-25(26,27)28;1-9-12(13(16)8-15)7-10-5-3-4-6-11(10)14(9)17-2;14-13(15,16)19-11-4-1-9(2-5-11)7-10-3-6-12(17)18-8-10;1-2-7-3-5-8(6-4-7)13-9(10,11)12;6-4-1-2-5(7)8-3-4;;1-2;/h3-12,14-15H,13H2,1-2H3;2-11,13-14H,12H2,1H3,(H,30,32);3-7H,8H2,1-2H3;1-6,8H,7H2,(H2,17,18);3-6H,2H2,1H3;1-3H,(H2,7,8);1H4;;1H2
InChIKeyYRTLJVJMGVSGKF-UHFFFAOYSA-N
MW1903.52 g/mol
LogP23.34
Rot. Bonds17

About 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate

2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate (PubChem CID 167552750) has the molecular formula C93H82Br2F12N10O11 and a molecular weight of 1903.52 g/mol. Its IUPAC name is 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate.

Molecular Properties

Compound Name2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate
PubChem CID167552750
Molecular FormulaC93H82Br2F12N10O11
Molecular Weight1903.52 g/mol
Exact Mass1900.43
IUPAC Name2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate
SMILESC.CCc1ccc(OC(F)(F)F)cc1.COc1c(C)c(-c2cn3cc(Cc4ccc(OC(F)(F)F)cc4)ccc3n2)nc2ccccc12.COc1c(C)c(C(=O)CBr)cc2ccccc12.Cc1c(-c2cn3cc(Cc4ccc(OC(F)(F)F)cc4)ccc3n2)[nH]c2ccccc2c1=O.Nc1ccc(Br)cn1.Nc1ccc(Cc2ccc(OC(F)(F)F)cc2)cn1.O.O=O
InChIInChI=1S/C26H20F3N3O2.C25H18F3N3O2.C14H13BrO2.C13H11F3N2O.C9H9F3O.C5H5BrN2.CH4.O2.H2O/c1-16-24(31-21-6-4-3-5-20(21)25(16)33-2)22-15-32-14-18(9-12-23(32)30-22)13-17-7-10-19(11-8-17)34-26(27,28)29;1-15-23(30-20-5-3-2-4-19(20)24(15)32)21-14-31-13-17(8-11-22(31)29-21)12-16-6-9-18(10-7-16)33-25(26,27)28;1-9-12(13(16)8-15)7-10-5-3-4-6-11(10)14(9)17-2;14-13(15,16)19-11-4-1-9(2-5-11)7-10-3-6-12(17)18-8-10;1-2-7-3-5-8(6-4-7)13-9(10,11)12;6-4-1-2-5(7)8-3-4;;1-2;/h3-12,14-15H,13H2,1-2H3;2-11,13-14H,12H2,1H3,(H,30,32);3-7H,8H2,1-2H3;1-6,8H,7H2,(H2,17,18);3-6H,2H2,1H3;1-3H,(H2,7,8);1H4;;1H2
InChIKeyYRTLJVJMGVSGKF-UHFFFAOYSA-N
XLogP23.34
TPSA296.26 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001903.52
LogP ≤ 523.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate with MolForge

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Related Compounds

2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromopyridin-2-amine;2-chloro-4-methoxy-3-methylquinoline;fluoroform;(3-hydroxyphenyl)boronic acid;methane;1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-methoxy-3-methyl-2-[6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;2-methylprop-1-ene;3-methyl-2-[6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;triiodo-lambda3-iodane;triiodide;hydroiodide
CID 167575909
potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide
CID 167633954
2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine
CID 167643074
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
2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;methane;4-methoxy-3-methyl-2-[7-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid
CID 167672291
CID 161282154
CID 161282154

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate?
The IUPAC name of 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate (CID 167552750) is 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate.
What is the SMILES notation for 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate?
The canonical SMILES for 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate is C.CCc1ccc(OC(F)(F)F)cc1.COc1c(C)c(-c2cn3cc(Cc4ccc(OC(F)(F)F)cc4)ccc3n2)nc2ccccc12.COc1c(C)c(C(=O)CBr)cc2ccccc12.Cc1c(-c2cn3cc(Cc4ccc(OC(F)(F)F)cc4)ccc3n2)[nH]c2ccccc2c1=O.Nc1ccc(Br)cn1.Nc1ccc(Cc2ccc(OC(F)(F)F)cc2)cn1.O.O=O.
What is the InChIKey of 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate?
The InChIKey is YRTLJVJMGVSGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O2.C25H18F3N3O2.C14H13BrO2.C13H11F3N2O.C9H9F3O.C5H5BrN2.CH4.O2.H2O/c1-16-24(31-21-6-4-3-5-20(21)25(16)33-2)22-15-32-14-18(9-12-23(32)30-22)13-17-7-10-19(11-8-17)34-26(27,28)29;1-15-23(30-20-5-3-2-4-19(20)24(15)32)21-14-31-13-17(8-11-22(31)29-21)12-16-6-9-18(10-7-16)33-25(26,27)28;1-9-12(13(16)8-15)7-10-5-3-4-6-11(10)14(9)17-2;14-13(15,16)19-11-4-1-9(2-5-11)7-10-3-6-12(17)18-8-10;1-2-7-3-5-8(6-4-7)13-9(10,11)12;6-4-1-2-5(7)8-3-4;;1-2;/h3-12,14-15H,13H2,1-2H3;2-11,13-14H,12H2,1H3,(H,30,32);3-7H,8H2,1-2H3;1-6,8H,7H2,(H2,17,18);3-6H,2H2,1H3;1-3H,(H2,7,8);1H4;;1H2.
What are the key properties of 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate?
2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate has a molecular weight of 1903.52 g/mol, XLogP of 23.34, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate is sourced from PubChem (CID 167552750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).