2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C18H11Cl2N5S — CID 75400534

IUPAC2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESClc1cc(Cl)c2nc(Cc3nc(-c4c[nH]c5ncccc45)cs3)cn2c1
InChIInChI=1S/C18H11Cl2N5S/c19-10-4-14(20)18-23-11(8-25(18)7-10)5-16-24-15(9-26-16)13-6-22-17-12(13)2-1-3-21-17/h1-4,6-9H,5H2,(H,21,22)
InChIKeyUXGVQFAFXQCWEX-UHFFFAOYSA-N
MW400.29 g/mol
LogP5.23
Rot. Bonds3

About 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 75400534) has the molecular formula C18H11Cl2N5S and a molecular weight of 400.29 g/mol. Its IUPAC name is 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID75400534
Molecular FormulaC18H11Cl2N5S
Molecular Weight400.29 g/mol
Exact Mass399.01
IUPAC Name2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESClc1cc(Cl)c2nc(Cc3nc(-c4c[nH]c5ncccc45)cs3)cn2c1
InChIInChI=1S/C18H11Cl2N5S/c19-10-4-14(20)18-23-11(8-25(18)7-10)5-16-24-15(9-26-16)13-6-22-17-12(13)2-1-3-21-17/h1-4,6-9H,5H2,(H,21,22)
InChIKeyUXGVQFAFXQCWEX-UHFFFAOYSA-N
XLogP5.23
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.29
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 75400534) is 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Clc1cc(Cl)c2nc(Cc3nc(-c4c[nH]c5ncccc45)cs3)cn2c1.
What is the InChIKey of 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is UXGVQFAFXQCWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5S/c19-10-4-14(20)18-23-11(8-25(18)7-10)5-16-24-15(9-26-16)13-6-22-17-12(13)2-1-3-21-17/h1-4,6-9H,5H2,(H,21,22).
What are the key properties of 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 400.29 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 75400534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).