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

C26H23N5OS — CID 139326852

IUPAC1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3ccn4c(-c5csc6ncccc56)cnc4c3)cc2)CC1
InChIInChI=1S/C26H23N5OS/c1-18(32)29-11-13-30(14-12-29)21-6-4-19(5-7-21)20-8-10-31-24(16-28-25(31)15-20)23-17-33-26-22(23)3-2-9-27-26/h2-10,15-17H,11-14H2,1H3
InChIKeyDXCBTHFXEHXKOR-UHFFFAOYSA-N
MW453.57 g/mol
LogP4.95
Rot. Bonds3

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

1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 139326852) has the molecular formula C26H23N5OS and a molecular weight of 453.57 g/mol. Its IUPAC name is 1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID139326852
Molecular FormulaC26H23N5OS
Molecular Weight453.57 g/mol
Exact Mass453.16
IUPAC Name1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3ccn4c(-c5csc6ncccc56)cnc4c3)cc2)CC1
InChIInChI=1S/C26H23N5OS/c1-18(32)29-11-13-30(14-12-29)21-6-4-19(5-7-21)20-8-10-31-24(16-28-25(31)15-20)23-17-33-26-22(23)3-2-9-27-26/h2-10,15-17H,11-14H2,1H3
InChIKeyDXCBTHFXEHXKOR-UHFFFAOYSA-N
XLogP4.95
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326849
7-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 56973477
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461
7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
CID 139326683
2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326669
1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone
CID 24957778
1-[(2S)-4-[4-[3-(6-ethenyl-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpiperazin-1-yl]ethanone
CID 142306232
6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326665
6,8-difluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326676
2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 134356888
tert-butyl 4-[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]piperazine-1-carboxylate;ethane;molecular hydrogen
CID 143706940
1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
CID 143706851

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone (CID 139326852) is 1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(-c3ccn4c(-c5csc6ncccc56)cnc4c3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is DXCBTHFXEHXKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5OS/c1-18(32)29-11-13-30(14-12-29)21-6-4-19(5-7-21)20-8-10-31-24(16-28-25(31)15-20)23-17-33-26-22(23)3-2-9-27-26/h2-10,15-17H,11-14H2,1H3.
What are the key properties of 1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone?
1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 453.57 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139326852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).