2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide

C28H21F3N4O2 — CID 11993578

IUPAC2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C28H21F3N4O2/c1-37-24-10-6-19(7-11-24)20-14-21(28(29,30)31)16-22(15-20)34-26(36)13-18-4-8-23(9-5-18)35-17-33-25-3-2-12-32-27(25)35/h2-12,14-17H,13H2,1H3,(H,34,36)
InChIKeyDLZYRYAPWFQNHQ-UHFFFAOYSA-N
MW502.50 g/mol
LogP6.30
Rot. Bonds6

About 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide

2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 11993578) has the molecular formula C28H21F3N4O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID11993578
Molecular FormulaC28H21F3N4O2
Molecular Weight502.50 g/mol
Exact Mass502.16
IUPAC Name2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C28H21F3N4O2/c1-37-24-10-6-19(7-11-24)20-14-21(28(29,30)31)16-22(15-20)34-26(36)13-18-4-8-23(9-5-18)35-17-33-25-3-2-12-32-27(25)35/h2-12,14-17H,13H2,1H3,(H,34,36)
InChIKeyDLZYRYAPWFQNHQ-UHFFFAOYSA-N
XLogP6.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide (CID 11993578) is 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide is COc1ccc(-c2cc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DLZYRYAPWFQNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O2/c1-37-24-10-6-19(7-11-24)20-14-21(28(29,30)31)16-22(15-20)34-26(36)13-18-4-8-23(9-5-18)35-17-33-25-3-2-12-32-27(25)35/h2-12,14-17H,13H2,1H3,(H,34,36).
What are the key properties of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide?
2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 502.50 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11993578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).