2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C29H22F3N3O — CID 130423676

IUPAC2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)ccc1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H22F3N3O/c1-18-12-21(23-13-22-14-26(35-28(22)33-17-23)19-6-3-2-4-7-19)11-10-20(18)15-27(36)34-25-9-5-8-24(16-25)29(30,31)32/h2-14,16-17H,15H2,1H3,(H,33,35)(H,34,36)
InChIKeyUPXRTJATSYPRLX-UHFFFAOYSA-N
MW485.51 g/mol
LogP7.41
Rot. Bonds5

About 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 130423676) has the molecular formula C29H22F3N3O and a molecular weight of 485.51 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID130423676
Molecular FormulaC29H22F3N3O
Molecular Weight485.51 g/mol
Exact Mass485.17
IUPAC Name2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)ccc1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H22F3N3O/c1-18-12-21(23-13-22-14-26(35-28(22)33-17-23)19-6-3-2-4-7-19)11-10-20(18)15-27(36)34-25-9-5-8-24(16-25)29(30,31)32/h2-14,16-17H,15H2,1H3,(H,33,35)(H,34,36)
InChIKeyUPXRTJATSYPRLX-UHFFFAOYSA-N
XLogP7.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
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[4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea
CID 129198592
CID 89006052
CID 89006052
2-(3-oxo-4H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
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2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
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2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17197570
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 130423676) is 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)ccc1CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UPXRTJATSYPRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N3O/c1-18-12-21(23-13-22-14-26(35-28(22)33-17-23)19-6-3-2-4-7-19)11-10-20(18)15-27(36)34-25-9-5-8-24(16-25)29(30,31)32/h2-14,16-17H,15H2,1H3,(H,33,35)(H,34,36).
What are the key properties of 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 485.51 g/mol, XLogP of 7.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 130423676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).