[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone

C26H26BrN5O2 — CID 129225991

IUPAC[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(C)c(C(=O)N2CCN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C26H26BrN5O2/c1-18-6-11-23(34-2)29-24(18)26(33)31-15-13-30(14-16-31)17-21-25(19-7-9-20(27)10-8-19)28-22-5-3-4-12-32(21)22/h3-12H,13-17H2,1-2H3
InChIKeyVTOOBSYEGXFOPO-UHFFFAOYSA-N
MW520.43 g/mol
LogP4.43
Rot. Bonds5

About [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone

[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone (PubChem CID 129225991) has the molecular formula C26H26BrN5O2 and a molecular weight of 520.43 g/mol. Its IUPAC name is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone
PubChem CID129225991
Molecular FormulaC26H26BrN5O2
Molecular Weight520.43 g/mol
Exact Mass519.13
IUPAC Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(C)c(C(=O)N2CCN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C26H26BrN5O2/c1-18-6-11-23(34-2)29-24(18)26(33)31-15-13-30(14-16-31)17-21-25(19-7-9-20(27)10-8-19)28-22-5-3-4-12-32(21)22/h3-12H,13-17H2,1-2H3
InChIKeyVTOOBSYEGXFOPO-UHFFFAOYSA-N
XLogP4.43
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-(6-methoxy-3-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone (CID 129225991) is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone is COc1ccc(C)c(C(=O)N2CCN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2)n1.
What is the InChIKey of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone?
The InChIKey is VTOOBSYEGXFOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN5O2/c1-18-6-11-23(34-2)29-24(18)26(33)31-15-13-30(14-16-31)17-21-25(19-7-9-20(27)10-8-19)28-22-5-3-4-12-32(21)22/h3-12H,13-17H2,1-2H3.
What are the key properties of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone?
[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone has a molecular weight of 520.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-(6-methoxy-3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 129225991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).