[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol

C27H28BrN5O2 — CID 134203690

IUPAC[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol
SMILESCOc1cccc(C(O)N2CC3CCC2CN3Cc2c(-c3ccc(Br)cc3)nc3ccccn23)n1
InChIInChI=1S/C27H28BrN5O2/c1-35-25-7-4-5-22(29-25)27(34)33-16-20-12-13-21(33)15-31(20)17-23-26(18-8-10-19(28)11-9-18)30-24-6-2-3-14-32(23)24/h2-11,14,20-21,27,34H,12-13,15-17H2,1H3
InChIKeyYJSMCJDGDDRTCA-UHFFFAOYSA-N
MW534.46 g/mol
LogP4.51
Rot. Bonds6

About [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol

[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol (PubChem CID 134203690) has the molecular formula C27H28BrN5O2 and a molecular weight of 534.46 g/mol. Its IUPAC name is [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol
PubChem CID134203690
Molecular FormulaC27H28BrN5O2
Molecular Weight534.46 g/mol
Exact Mass533.14
IUPAC Name[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol
SMILESCOc1cccc(C(O)N2CC3CCC2CN3Cc2c(-c3ccc(Br)cc3)nc3ccccn23)n1
InChIInChI=1S/C27H28BrN5O2/c1-35-25-7-4-5-22(29-25)27(34)33-16-20-12-13-21(33)15-31(20)17-23-26(18-8-10-19(28)11-9-18)30-24-6-2-3-14-32(23)24/h2-11,14,20-21,27,34H,12-13,15-17H2,1H3
InChIKeyYJSMCJDGDDRTCA-UHFFFAOYSA-N
XLogP4.51
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol with MolForge

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Related Compounds

8-Bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]-6-methylimidazo[1,2-a]pyridine
CID 11661609
2-(4-Bromo-phenyl)-1-(4-methoxy-benzyl)-1H-imidazo[1,2-a]pyridin-4-ylium
CID 12005561
3-(9-(1-((6-methoxypyridin-3-yl)methyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol
CID 25073385
4-[5-[6-(4-Methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133254
4-[5-(6-Morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133256
3-(6-Methoxy-3-pyridinyl)-6-phenylimidazo[1,2-a]pyrazine
CID 155542785
[4-[3-(6-Methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 155544646
3-(4-Methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine
CID 155551652
3-(6-Methoxy-3-pyridinyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazine
CID 117769830
[1-[(3-Bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 118714143
US10759794, Example 47
CID 129225977
US10759794, Example 74
CID 129225991

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol?
The IUPAC name of [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol (CID 134203690) is [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol.
What is the SMILES notation for [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol?
The canonical SMILES for [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol is COc1cccc(C(O)N2CC3CCC2CN3Cc2c(-c3ccc(Br)cc3)nc3ccccn23)n1.
What is the InChIKey of [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol?
The InChIKey is YJSMCJDGDDRTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28BrN5O2/c1-35-25-7-4-5-22(29-25)27(34)33-16-20-12-13-21(33)15-31(20)17-23-26(18-8-10-19(28)11-9-18)30-24-6-2-3-14-32(23)24/h2-11,14,20-21,27,34H,12-13,15-17H2,1H3.
What are the key properties of [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol?
[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol has a molecular weight of 534.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol is sourced from PubChem (CID 134203690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).