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

C26H26ClN5O2 — CID 135144610

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
SMILESCCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C26H26ClN5O2/c1-2-34-24-8-5-6-21(28-24)26(33)31-16-14-30(15-17-31)18-22-25(19-9-11-20(27)12-10-19)29-23-7-3-4-13-32(22)23/h3-13H,2,14-18H2,1H3
InChIKeyJJWQWGDCLKNBBO-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.41
Rot. Bonds6

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

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone (PubChem CID 135144610) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
PubChem CID135144610
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
SMILESCCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C26H26ClN5O2/c1-2-34-24-8-5-6-21(28-24)26(33)31-16-14-30(15-17-31)18-22-25(19-9-11-20(27)12-10-19)29-23-7-3-4-13-32(22)23/h3-13H,2,14-18H2,1H3
InChIKeyJJWQWGDCLKNBBO-UHFFFAOYSA-N
XLogP4.41
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone (CID 135144610) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone is CCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
The InChIKey is JJWQWGDCLKNBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c1-2-34-24-8-5-6-21(28-24)26(33)31-16-14-30(15-17-31)18-22-25(19-9-11-20(27)12-10-19)29-23-7-3-4-13-32(22)23/h3-13H,2,14-18H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone has a molecular weight of 475.98 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone is sourced from PubChem (CID 135144610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).