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

C34H29F2N7O2 — CID 59452900

IUPACN-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5ccc(F)cc5F)c4)nc4ccccn34)n2)c1
InChIInChI=1S/C34H29F2N7O2/c1-42(2)17-18-45-26-10-6-9-25(21-26)38-34-37-15-14-29(40-34)32-31(41-30-11-3-4-16-43(30)32)22-7-5-8-23(19-22)33(44)39-28-13-12-24(35)20-27(28)36/h3-16,19-21H,17-18H2,1-2H3,(H,39,44)(H,37,38,40)
InChIKeyCBPHTJMAIXBGFS-UHFFFAOYSA-N
MW605.65 g/mol
LogP6.67
Rot. Bonds10

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

N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 59452900) has the molecular formula C34H29F2N7O2 and a molecular weight of 605.65 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID59452900
Molecular FormulaC34H29F2N7O2
Molecular Weight605.65 g/mol
Exact Mass605.24
IUPAC NameN-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5ccc(F)cc5F)c4)nc4ccccn34)n2)c1
InChIInChI=1S/C34H29F2N7O2/c1-42(2)17-18-45-26-10-6-9-25(21-26)38-34-37-15-14-29(40-34)32-31(41-30-11-3-4-16-43(30)32)22-7-5-8-23(19-22)33(44)39-28-13-12-24(35)20-27(28)36/h3-16,19-21H,17-18H2,1-2H3,(H,39,44)(H,37,38,40)
InChIKeyCBPHTJMAIXBGFS-UHFFFAOYSA-N
XLogP6.67
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.65
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]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 N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 59452900) is N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5ccc(F)cc5F)c4)nc4ccccn34)n2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is CBPHTJMAIXBGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F2N7O2/c1-42(2)17-18-45-26-10-6-9-25(21-26)38-34-37-15-14-29(40-34)32-31(41-30-11-3-4-16-43(30)32)22-7-5-8-23(19-22)33(44)39-28-13-12-24(35)20-27(28)36/h3-16,19-21H,17-18H2,1-2H3,(H,39,44)(H,37,38,40).
What are the key properties of N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 605.65 g/mol, XLogP of 6.67, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 59452900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).