3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide

C35H29F4N7O2 — CID 59452705

IUPAC3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5cc(C(F)(F)F)ccc5F)c4)nc4ccccn34)n2)c1
InChIInChI=1S/C35H29F4N7O2/c1-45(2)17-18-48-26-10-6-9-25(21-26)41-34-40-15-14-28(43-34)32-31(44-30-11-3-4-16-46(30)32)22-7-5-8-23(19-22)33(47)42-29-20-24(35(37,38)39)12-13-27(29)36/h3-16,19-21H,17-18H2,1-2H3,(H,42,47)(H,40,41,43)
InChIKeyZQOJOCBLMULSIQ-UHFFFAOYSA-N
MW655.66 g/mol
LogP7.55
Rot. Bonds10

About 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide

3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 59452705) has the molecular formula C35H29F4N7O2 and a molecular weight of 655.66 g/mol. Its IUPAC name is 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
PubChem CID59452705
Molecular FormulaC35H29F4N7O2
Molecular Weight655.66 g/mol
Exact Mass655.23
IUPAC Name3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5cc(C(F)(F)F)ccc5F)c4)nc4ccccn34)n2)c1
InChIInChI=1S/C35H29F4N7O2/c1-45(2)17-18-48-26-10-6-9-25(21-26)41-34-40-15-14-28(43-34)32-31(44-30-11-3-4-16-46(30)32)22-7-5-8-23(19-22)33(47)42-29-20-24(35(37,38)39)12-13-27(29)36/h3-16,19-21H,17-18H2,1-2H3,(H,42,47)(H,40,41,43)
InChIKeyZQOJOCBLMULSIQ-UHFFFAOYSA-N
XLogP7.55
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.66
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide (CID 59452705) is 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5cc(C(F)(F)F)ccc5F)c4)nc4ccccn34)n2)c1.
What is the InChIKey of 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZQOJOCBLMULSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F4N7O2/c1-45(2)17-18-48-26-10-6-9-25(21-26)41-34-40-15-14-28(43-34)32-31(44-30-11-3-4-16-46(30)32)22-7-5-8-23(19-22)33(47)42-29-20-24(35(37,38)39)12-13-27(29)36/h3-16,19-21H,17-18H2,1-2H3,(H,42,47)(H,40,41,43).
What are the key properties of 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 655.66 g/mol, XLogP of 7.55, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59452705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).