1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone

C25H21N5OS — CID 58163776

IUPAC1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1CC(=O)c1cccc(Nc2nc(C)c(-c3cnc4ccccn34)s2)c1
InChIInChI=1S/C25H21N5OS/c1-16-18(8-6-11-26-16)14-22(31)19-7-5-9-20(13-19)29-25-28-17(2)24(32-25)21-15-27-23-10-3-4-12-30(21)23/h3-13,15H,14H2,1-2H3,(H,28,29)
InChIKeyQHERNNQABZYRGG-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.64
Rot. Bonds6

About 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone

1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone (PubChem CID 58163776) has the molecular formula C25H21N5OS and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
PubChem CID58163776
Molecular FormulaC25H21N5OS
Molecular Weight439.54 g/mol
Exact Mass439.15
IUPAC Name1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1CC(=O)c1cccc(Nc2nc(C)c(-c3cnc4ccccn34)s2)c1
InChIInChI=1S/C25H21N5OS/c1-16-18(8-6-11-26-16)14-22(31)19-7-5-9-20(13-19)29-25-28-17(2)24(32-25)21-15-27-23-10-3-4-12-30(21)23/h3-13,15H,14H2,1-2H3,(H,28,29)
InChIKeyQHERNNQABZYRGG-UHFFFAOYSA-N
XLogP5.64
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone (CID 58163776) is 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone is Cc1ncccc1CC(=O)c1cccc(Nc2nc(C)c(-c3cnc4ccccn34)s2)c1.
What is the InChIKey of 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is QHERNNQABZYRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5OS/c1-16-18(8-6-11-26-16)14-22(31)19-7-5-9-20(13-19)29-25-28-17(2)24(32-25)21-15-27-23-10-3-4-12-30(21)23/h3-13,15H,14H2,1-2H3,(H,28,29).
What are the key properties of 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone?
1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone has a molecular weight of 439.54 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 58163776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).