2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole

C26H19N5OS — CID 25031193

IUPAC2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole
SMILESCOc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1
InChIInChI=1S/C26H19N5OS/c1-32-22-10-8-21(9-11-22)31-17-23(26-28-14-16-33-26)29-25(31)19-4-6-20(7-5-19)30-15-12-18-3-2-13-27-24(18)30/h2-17H,1H3
InChIKeyGYQDBNUWBHIYTD-UHFFFAOYSA-N
MW449.54 g/mol
LogP6.01
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole

2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole (PubChem CID 25031193) has the molecular formula C26H19N5OS and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole
PubChem CID25031193
Molecular FormulaC26H19N5OS
Molecular Weight449.54 g/mol
Exact Mass449.13
IUPAC Name2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole
SMILESCOc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1
InChIInChI=1S/C26H19N5OS/c1-32-22-10-8-21(9-11-22)31-17-23(26-28-14-16-33-26)29-25(31)19-4-6-20(7-5-19)30-15-12-18-3-2-13-27-24(18)30/h2-17H,1H3
InChIKeyGYQDBNUWBHIYTD-UHFFFAOYSA-N
XLogP6.01
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.54
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole (CID 25031193) is 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole is COc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole?
The InChIKey is GYQDBNUWBHIYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5OS/c1-32-22-10-8-21(9-11-22)31-17-23(26-28-14-16-33-26)29-25(31)19-4-6-20(7-5-19)30-15-12-18-3-2-13-27-24(18)30/h2-17H,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole?
2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole has a molecular weight of 449.54 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 25031193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).