[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

C26H25BrN4O2 — CID 129225870

IUPAC[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2)c1
InChIInChI=1S/C26H25BrN4O2/c1-33-22-6-4-5-20(17-22)26(32)30-15-13-29(14-16-30)18-23-25(19-8-10-21(27)11-9-19)28-24-7-2-3-12-31(23)24/h2-12,17H,13-16,18H2,1H3
InChIKeyMESJGYJHKBCXBE-UHFFFAOYSA-N
MW505.42 g/mol
LogP4.73
Rot. Bonds5

About [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 129225870) has the molecular formula C26H25BrN4O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID129225870
Molecular FormulaC26H25BrN4O2
Molecular Weight505.42 g/mol
Exact Mass504.12
IUPAC Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2)c1
InChIInChI=1S/C26H25BrN4O2/c1-33-22-6-4-5-20(17-22)26(32)30-15-13-29(14-16-30)18-23-25(19-8-10-21(27)11-9-19)28-24-7-2-3-12-31(23)24/h2-12,17H,13-16,18H2,1H3
InChIKeyMESJGYJHKBCXBE-UHFFFAOYSA-N
XLogP4.73
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 129225870) is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2)c1.
What is the InChIKey of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is MESJGYJHKBCXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN4O2/c1-33-22-6-4-5-20(17-22)26(32)30-15-13-29(14-16-30)18-23-25(19-8-10-21(27)11-9-19)28-24-7-2-3-12-31(23)24/h2-12,17H,13-16,18H2,1H3.
What are the key properties of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 505.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 129225870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).