5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

C25H23N5S — CID 56973457

IUPAC5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccc6scnc6c5)cnc4c3)cc2)CC1
InChIInChI=1S/C25H23N5S/c1-28-10-12-29(13-11-28)21-5-2-18(3-6-21)19-8-9-30-23(16-26-25(30)15-19)20-4-7-24-22(14-20)27-17-31-24/h2-9,14-17H,10-13H2,1H3
InChIKeyZOVIMYBZVICRJI-UHFFFAOYSA-N
MW425.56 g/mol
LogP5.03
Rot. Bonds3

About 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (PubChem CID 56973457) has the molecular formula C25H23N5S and a molecular weight of 425.56 g/mol. Its IUPAC name is 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
PubChem CID56973457
Molecular FormulaC25H23N5S
Molecular Weight425.56 g/mol
Exact Mass425.17
IUPAC Name5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccc6scnc6c5)cnc4c3)cc2)CC1
InChIInChI=1S/C25H23N5S/c1-28-10-12-29(13-11-28)21-5-2-18(3-6-21)19-8-9-30-23(16-26-25(30)15-19)20-4-7-24-22(14-20)27-17-31-24/h2-9,14-17H,10-13H2,1H3
InChIKeyZOVIMYBZVICRJI-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

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The IUPAC name of 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (CID 56973457) is 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is CN1CCN(c2ccc(-c3ccn4c(-c5ccc6scnc6c5)cnc4c3)cc2)CC1.
What is the InChIKey of 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The InChIKey is ZOVIMYBZVICRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5S/c1-28-10-12-29(13-11-28)21-5-2-18(3-6-21)19-8-9-30-23(16-26-25(30)15-19)20-4-7-24-22(14-20)27-17-31-24/h2-9,14-17H,10-13H2,1H3.
What are the key properties of 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
5-[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 5-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 56973457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).