2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide

C26H23ClF3N5O — CID 25064958

IUPAC2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnc3cccnc32)cc1Cl)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C26H23ClF3N5O/c27-22-14-20(35-16-32-23-4-3-9-31-25(23)35)8-6-17(22)12-24(36)33-19-7-5-18(15-34-10-1-2-11-34)21(13-19)26(28,29)30/h3-9,13-14,16H,1-2,10-12,15H2,(H,33,36)
InChIKeyUDNMNEAWZAILBH-UHFFFAOYSA-N
MW513.95 g/mol
LogP5.87
Rot. Bonds6

About 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide

2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25064958) has the molecular formula C26H23ClF3N5O and a molecular weight of 513.95 g/mol. Its IUPAC name is 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID25064958
Molecular FormulaC26H23ClF3N5O
Molecular Weight513.95 g/mol
Exact Mass513.15
IUPAC Name2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnc3cccnc32)cc1Cl)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C26H23ClF3N5O/c27-22-14-20(35-16-32-23-4-3-9-31-25(23)35)8-6-17(22)12-24(36)33-19-7-5-18(15-34-10-1-2-11-34)21(13-19)26(28,29)30/h3-9,13-14,16H,1-2,10-12,15H2,(H,33,36)
InChIKeyUDNMNEAWZAILBH-UHFFFAOYSA-N
XLogP5.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.95
LogP ≤ 55.87
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-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide (CID 25064958) is 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(-n2cnc3cccnc32)cc1Cl)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UDNMNEAWZAILBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N5O/c27-22-14-20(35-16-32-23-4-3-9-31-25(23)35)8-6-17(22)12-24(36)33-19-7-5-18(15-34-10-1-2-11-34)21(13-19)26(28,29)30/h3-9,13-14,16H,1-2,10-12,15H2,(H,33,36).
What are the key properties of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide?
2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 513.95 g/mol, XLogP of 5.87, 6 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-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25064958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).