7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine

C23H20N6S — CID 139326683

IUPAC7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
SMILESc1ncc2scc(-c3cnc4cc(-c5ccc(N6CCNCC6)cc5)ccn34)c2n1
InChIInChI=1S/C23H20N6S/c1-3-18(28-9-6-24-7-10-28)4-2-16(1)17-5-8-29-20(12-26-22(29)11-17)19-14-30-21-13-25-15-27-23(19)21/h1-5,8,11-15,24H,6-7,9-10H2
InChIKeyJOZOIGTUQOHJMA-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.08
Rot. Bonds3

About 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine

7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine (PubChem CID 139326683) has the molecular formula C23H20N6S and a molecular weight of 412.52 g/mol. Its IUPAC name is 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
PubChem CID139326683
Molecular FormulaC23H20N6S
Molecular Weight412.52 g/mol
Exact Mass412.15
IUPAC Name7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
SMILESc1ncc2scc(-c3cnc4cc(-c5ccc(N6CCNCC6)cc5)ccn34)c2n1
InChIInChI=1S/C23H20N6S/c1-3-18(28-9-6-24-7-10-28)4-2-16(1)17-5-8-29-20(12-26-22(29)11-17)19-14-30-21-13-25-15-27-23(19)21/h1-5,8,11-15,24H,6-7,9-10H2
InChIKeyJOZOIGTUQOHJMA-UHFFFAOYSA-N
XLogP4.08
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine with MolForge

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Related Compounds

2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326669
2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 134356888
6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326665
1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326852
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461
7-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 56973477
1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
CID 143706851
8-[4-[3-(8-fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane
CID 160927126
8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline
CID 134356874
4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline
CID 139495359
4-[7-[4-(3,3-dimethylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-8-fluoro-2,6-dimethylquinoline
CID 161401798
4-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 147694887

Frequently Asked Questions

What is the IUPAC name of 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine (CID 139326683) is 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine is c1ncc2scc(-c3cnc4cc(-c5ccc(N6CCNCC6)cc5)ccn34)c2n1.
What is the InChIKey of 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine?
The InChIKey is JOZOIGTUQOHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6S/c1-3-18(28-9-6-24-7-10-28)4-2-16(1)17-5-8-29-20(12-26-22(29)11-17)19-14-30-21-13-25-15-27-23(19)21/h1-5,8,11-15,24H,6-7,9-10H2.
What are the key properties of 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine?
7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine has a molecular weight of 412.52 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 139326683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).