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

C25H24BrN5O2 — CID 129225977

IUPAC[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C25H24BrN5O2/c1-33-23-7-4-5-20(27-23)25(32)30-15-13-29(14-16-30)17-21-24(18-8-10-19(26)11-9-18)28-22-6-2-3-12-31(21)22/h2-12H,13-17H2,1H3
InChIKeyVPSSWMQTWXUJOQ-UHFFFAOYSA-N
MW506.40 g/mol
LogP4.13
Rot. Bonds5

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

[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (PubChem CID 129225977) has the molecular formula C25H24BrN5O2 and a molecular weight of 506.40 g/mol. Its IUPAC name is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
PubChem CID129225977
Molecular FormulaC25H24BrN5O2
Molecular Weight506.40 g/mol
Exact Mass505.11
IUPAC Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C25H24BrN5O2/c1-33-23-7-4-5-20(27-23)25(32)30-15-13-29(14-16-30)17-21-24(18-8-10-19(26)11-9-18)28-22-6-2-3-12-31(21)22/h2-12H,13-17H2,1H3
InChIKeyVPSSWMQTWXUJOQ-UHFFFAOYSA-N
XLogP4.13
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.40
LogP ≤ 54.13
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-2-pyridinyl)methanone?
The IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (CID 129225977) is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-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-2-pyridinyl)methanone?
The canonical SMILES for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone is COc1cccc(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-2-pyridinyl)methanone?
The InChIKey is VPSSWMQTWXUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN5O2/c1-33-23-7-4-5-20(27-23)25(32)30-15-13-29(14-16-30)17-21-24(18-8-10-19(26)11-9-18)28-22-6-2-3-12-31(21)22/h2-12H,13-17H2,1H3.
What are the key properties of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?
[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 506.40 g/mol, XLogP of 4.13, 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-2-pyridinyl)methanone is sourced from PubChem (CID 129225977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).