N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide

C29H25ClN4O3 — CID 136634854

About N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide

N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide (PubChem CID 136634854) has the molecular formula C29H25ClN4O3 and a molecular weight of 513.00 g/mol. Its IUPAC name is N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide
• PubChem CID: 136634854
• Molecular Formula: C29H25ClN4O3
• Molecular Weight: 513.00 g/mol
• Exact Mass: 512.16
• IUPAC Name: N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide
• SMILES: CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(-c5ccccc5O)cc4)c(Cl)cc3[nH]2)cc1
• InChI: InChI=1S/C29H25ClN4O3/c1-17(35)34-29(2,3)20-12-14-21(15-13-20)37-28-31-24-16-23(30)26(32-27(24)33-28)19-10-8-18(9-11-19)22-6-4-5-7-25(22)36/h4-16,36H,1-3H3,(H,34,35)(H,31,32,33)
• InChIKey: IPXYLEJGGNIXHF-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 100.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.00
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide?

The IUPAC name of N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide (CID 136634854) is N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide.

What is the SMILES notation for N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide?

The canonical SMILES for N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(-c5ccccc5O)cc4)c(Cl)cc3[nH]2)cc1.

What is the InChIKey of N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide?

The InChIKey is IPXYLEJGGNIXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O3/c1-17(35)34-29(2,3)20-12-14-21(15-13-20)37-28-31-24-16-23(30)26(32-27(24)33-28)19-10-8-18(9-11-19)22-6-4-5-7-25(22)36/h4-16,36H,1-3H3,(H,34,35)(H,31,32,33).

What are the key properties of N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide?

N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide has a molecular weight of 513.00 g/mol, XLogP of 6.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 136634854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).