7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

C25H23N5S — CID 139326671

IUPAC7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5cccc6ncsc56)cnc4c3)cc2)CC1
InChIInChI=1S/C25H23N5S/c1-28-11-13-29(14-12-28)20-7-5-18(6-8-20)19-9-10-30-23(16-26-24(30)15-19)21-3-2-4-22-25(21)31-17-27-22/h2-10,15-17H,11-14H2,1H3
InChIKeyDQFRITSUHMXWME-UHFFFAOYSA-N
MW425.56 g/mol
LogP5.03
Rot. Bonds3

About 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (PubChem CID 139326671) has the molecular formula C25H23N5S and a molecular weight of 425.56 g/mol. Its IUPAC name is 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
PubChem CID139326671
Molecular FormulaC25H23N5S
Molecular Weight425.56 g/mol
Exact Mass425.17
IUPAC Name7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5cccc6ncsc56)cnc4c3)cc2)CC1
InChIInChI=1S/C25H23N5S/c1-28-11-13-29(14-12-28)20-7-5-18(6-8-20)19-9-10-30-23(16-26-24(30)15-19)21-3-2-4-22-25(21)31-17-27-22/h2-10,15-17H,11-14H2,1H3
InChIKeyDQFRITSUHMXWME-UHFFFAOYSA-N
XLogP5.03
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole with MolForge

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Related Compounds

5-(2-Benzothiazolyl)-3-ethyl-2-[2-(methylphenylamino)ethenyl]-1-phenyl-1H-benzimidazolium iodide
CID 5719375
N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline
CID 2326992
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
US9670204, 87 N-(6-(1-(3-(dimethylamino)propyl-sulfonyl)piperidin-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90446642

Frequently Asked Questions

What is the IUPAC name of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The IUPAC name of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (CID 139326671) is 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is CN1CCN(c2ccc(-c3ccn4c(-c5cccc6ncsc56)cnc4c3)cc2)CC1.
What is the InChIKey of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The InChIKey is DQFRITSUHMXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5S/c1-28-11-13-29(14-12-28)20-7-5-18(6-8-20)19-9-10-30-23(16-26-24(30)15-19)21-3-2-4-22-25(21)31-17-27-22/h2-10,15-17H,11-14H2,1H3.
What are the key properties of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole has a molecular weight of 425.56 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 139326671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).