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

C26H25ClF3N5O — CID 25064962

IUPAC2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)Cc1ccc(NC(=O)Cc2ccc(-n3cnc4cccnc43)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C26H25ClF3N5O/c1-3-34(4-2)15-18-7-9-19(13-21(18)26(28,29)30)33-24(36)12-17-8-10-20(14-22(17)27)35-16-32-23-6-5-11-31-25(23)35/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,33,36)
InChIKeyAJSOHAIPJFYPBE-UHFFFAOYSA-N
MW515.97 g/mol
LogP6.12
Rot. Bonds8

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

2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25064962) has the molecular formula C26H25ClF3N5O and a molecular weight of 515.97 g/mol. Its IUPAC name is 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID25064962
Molecular FormulaC26H25ClF3N5O
Molecular Weight515.97 g/mol
Exact Mass515.17
IUPAC Name2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)Cc1ccc(NC(=O)Cc2ccc(-n3cnc4cccnc43)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C26H25ClF3N5O/c1-3-34(4-2)15-18-7-9-19(13-21(18)26(28,29)30)33-24(36)12-17-8-10-20(14-22(17)27)35-16-32-23-6-5-11-31-25(23)35/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,33,36)
InChIKeyAJSOHAIPJFYPBE-UHFFFAOYSA-N
XLogP6.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.97
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide (CID 25064962) is 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide is CCN(CC)Cc1ccc(NC(=O)Cc2ccc(-n3cnc4cccnc43)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AJSOHAIPJFYPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N5O/c1-3-34(4-2)15-18-7-9-19(13-21(18)26(28,29)30)33-24(36)12-17-8-10-20(14-22(17)27)35-16-32-23-6-5-11-31-25(23)35/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,33,36).
What are the key properties of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide?
2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 515.97 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25064962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).