1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one

C37H36Br2N4O3 — CID 142744028

IUPAC1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one
SMILESCCc1nc2cc(C)c(Br)cn2c1C(C(=O)C(c1ccc(OC)cc1)c1c(CC)nc2cc(C)c(Br)cn12)c1ccc(OC)cc1
InChIInChI=1S/C37H36Br2N4O3/c1-7-29-35(42-19-27(38)21(3)17-31(42)40-29)33(23-9-13-25(45-5)14-10-23)37(44)34(24-11-15-26(46-6)16-12-24)36-30(8-2)41-32-18-22(4)28(39)20-43(32)36/h9-20,33-34H,7-8H2,1-6H3
InChIKeyZJWZVYIWTIUSRU-UHFFFAOYSA-N
MW744.53 g/mol
LogP8.80
Rot. Bonds10

About 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one

1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one (PubChem CID 142744028) has the molecular formula C37H36Br2N4O3 and a molecular weight of 744.53 g/mol. Its IUPAC name is 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one
PubChem CID142744028
Molecular FormulaC37H36Br2N4O3
Molecular Weight744.53 g/mol
Exact Mass742.12
IUPAC Name1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one
SMILESCCc1nc2cc(C)c(Br)cn2c1C(C(=O)C(c1ccc(OC)cc1)c1c(CC)nc2cc(C)c(Br)cn12)c1ccc(OC)cc1
InChIInChI=1S/C37H36Br2N4O3/c1-7-29-35(42-19-27(38)21(3)17-31(42)40-29)33(23-9-13-25(45-5)14-10-23)37(44)34(24-11-15-26(46-6)16-12-24)36-30(8-2)41-32-18-22(4)28(39)20-43(32)36/h9-20,33-34H,7-8H2,1-6H3
InChIKeyZJWZVYIWTIUSRU-UHFFFAOYSA-N
XLogP8.80
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.53
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Bromo-phenyl)-1-(4-methoxy-benzyl)-1H-imidazo[1,2-a]pyridin-4-ylium
CID 12005561
2-[6-Bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 53300573
1H-Imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(2-(p-methoxyphenyl)-, dibromide, monohydrate
CID 24839159
6-Bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 51359011
6-Bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine
CID 51359007
6-Bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 51359008
6-Bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 51360046
6-Bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
CID 51361258
6-Bromo-2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine
CID 51361259
6-Bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine
CID 51361276
6-Bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine
CID 51361279
13-Bromo-9-[(4-methoxyphenyl)methyl]-14-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one
CID 46841977

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one?
The IUPAC name of 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one (CID 142744028) is 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one is CCc1nc2cc(C)c(Br)cn2c1C(C(=O)C(c1ccc(OC)cc1)c1c(CC)nc2cc(C)c(Br)cn12)c1ccc(OC)cc1.
What is the InChIKey of 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one?
The InChIKey is ZJWZVYIWTIUSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36Br2N4O3/c1-7-29-35(42-19-27(38)21(3)17-31(42)40-29)33(23-9-13-25(45-5)14-10-23)37(44)34(24-11-15-26(46-6)16-12-24)36-30(8-2)41-32-18-22(4)28(39)20-43(32)36/h9-20,33-34H,7-8H2,1-6H3.
What are the key properties of 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one?
1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one has a molecular weight of 744.53 g/mol, XLogP of 8.80, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(6-bromo-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-1,3-bis(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 142744028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).