N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C21H17F3N6O2 — CID 122510554

IUPACN-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C21H17F3N6O2/c22-14-4-1-12(2-5-14)19-20(29(11-28-19)10-16(23)24)13-3-6-18-26-7-15(30(18)9-13)21(32)27-8-17(25)31/h1-7,9,11,16H,8,10H2,(H2,25,31)(H,27,32)
InChIKeyZOBJBMGMPZNWHU-UHFFFAOYSA-N
MW442.40 g/mol
LogP2.48
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510554) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510554
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC NameN-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C21H17F3N6O2/c22-14-4-1-12(2-5-14)19-20(29(11-28-19)10-16(23)24)13-3-6-18-26-7-15(30(18)9-13)21(32)27-8-17(25)31/h1-7,9,11,16H,8,10H2,(H2,25,31)(H,27,32)
InChIKeyZOBJBMGMPZNWHU-UHFFFAOYSA-N
XLogP2.48
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide 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-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510554) is N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)CNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.
What is the InChIKey of N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZOBJBMGMPZNWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c22-14-4-1-12(2-5-14)19-20(29(11-28-19)10-16(23)24)13-3-6-18-26-7-15(30(18)9-13)21(32)27-8-17(25)31/h1-7,9,11,16H,8,10H2,(H2,25,31)(H,27,32).
What are the key properties of N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).