2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C25H27N7O2S — CID 25151216

IUPAC2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2nc3ncc(C4CC4)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H27N7O2S/c1-34-18-6-4-17(5-7-18)23-29-21-22(19(16-2-3-16)14-27-24(21)30-23)32-11-9-31(10-12-32)15-20(33)28-25-26-8-13-35-25/h4-8,13-14,16H,2-3,9-12,15H2,1H3,(H,26,28,33)(H,27,29,30)
InChIKeyAXFARURNJIJQNK-UHFFFAOYSA-N
MW489.61 g/mol
LogP3.73
Rot. Bonds7

About 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 25151216) has the molecular formula C25H27N7O2S and a molecular weight of 489.61 g/mol. Its IUPAC name is 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID25151216
Molecular FormulaC25H27N7O2S
Molecular Weight489.61 g/mol
Exact Mass489.19
IUPAC Name2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2nc3ncc(C4CC4)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H27N7O2S/c1-34-18-6-4-17(5-7-18)23-29-21-22(19(16-2-3-16)14-27-24(21)30-23)32-11-9-31(10-12-32)15-20(33)28-25-26-8-13-35-25/h4-8,13-14,16H,2-3,9-12,15H2,1H3,(H,26,28,33)(H,27,29,30)
InChIKeyAXFARURNJIJQNK-UHFFFAOYSA-N
XLogP3.73
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 25151216) is 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2nc3ncc(C4CC4)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is AXFARURNJIJQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S/c1-34-18-6-4-17(5-7-18)23-29-21-22(19(16-2-3-16)14-27-24(21)30-23)32-11-9-31(10-12-32)15-20(33)28-25-26-8-13-35-25/h4-8,13-14,16H,2-3,9-12,15H2,1H3,(H,26,28,33)(H,27,29,30).
What are the key properties of 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 489.61 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-cyclopropyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 25151216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).