1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone

C28H25N5O — CID 139326849

IUPAC1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3ccn4c(-c5cccc6ncccc56)cnc4c3)cc2)CC1
InChIInChI=1S/C28H25N5O/c1-20(34)31-14-16-32(17-15-31)23-9-7-21(8-10-23)22-11-13-33-27(19-30-28(33)18-22)25-4-2-6-26-24(25)5-3-12-29-26/h2-13,18-19H,14-17H2,1H3
InChIKeyBEDNQPJZZWIRJP-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.89
Rot. Bonds3

About 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone

1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 139326849) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID139326849
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC Name1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3ccn4c(-c5cccc6ncccc56)cnc4c3)cc2)CC1
InChIInChI=1S/C28H25N5O/c1-20(34)31-14-16-32(17-15-31)23-9-7-21(8-10-23)22-11-13-33-27(19-30-28(33)18-22)25-4-2-6-26-24(25)5-3-12-29-26/h2-13,18-19H,14-17H2,1H3
InChIKeyBEDNQPJZZWIRJP-UHFFFAOYSA-N
XLogP4.89
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone (CID 139326849) is 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(-c3ccn4c(-c5cccc6ncccc56)cnc4c3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is BEDNQPJZZWIRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O/c1-20(34)31-14-16-32(17-15-31)23-9-7-21(8-10-23)22-11-13-33-27(19-30-28(33)18-22)25-4-2-6-26-24(25)5-3-12-29-26/h2-13,18-19H,14-17H2,1H3.
What are the key properties of 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone?
1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 447.54 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139326849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).