N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

C30H19F3N6O — CID 44571808

IUPACN-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESO=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C30H19F3N6O/c31-20-8-4-9-21(17-20)35-30-34-14-13-24(36-30)28-26(37-25-12-1-2-15-39(25)28)18-6-3-7-19(16-18)29(40)38-27-22(32)10-5-11-23(27)33/h1-17H,(H,38,40)(H,34,35,36)
InChIKeyZPXXFZZRERWBBL-UHFFFAOYSA-N
MW536.52 g/mol
LogP6.87
Rot. Bonds6

About N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 44571808) has the molecular formula C30H19F3N6O and a molecular weight of 536.52 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID44571808
Molecular FormulaC30H19F3N6O
Molecular Weight536.52 g/mol
Exact Mass536.16
IUPAC NameN-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESO=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C30H19F3N6O/c31-20-8-4-9-21(17-20)35-30-34-14-13-24(36-30)28-26(37-25-12-1-2-15-39(25)28)18-6-3-7-19(16-18)29(40)38-27-22(32)10-5-11-23(27)33/h1-17H,(H,38,40)(H,34,35,36)
InChIKeyZPXXFZZRERWBBL-UHFFFAOYSA-N
XLogP6.87
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.52
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)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-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 44571808) is N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is O=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(F)c3)n2)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is ZPXXFZZRERWBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F3N6O/c31-20-8-4-9-21(17-20)35-30-34-14-13-24(36-30)28-26(37-25-12-1-2-15-39(25)28)18-6-3-7-19(16-18)29(40)38-27-22(32)10-5-11-23(27)33/h1-17H,(H,38,40)(H,34,35,36).
What are the key properties of N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 536.52 g/mol, XLogP of 6.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 44571808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).