N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C20H13ClF2N4O2 — CID 71553473

IUPACN-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Oc2ccc(F)cc2F)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClF2N4O2/c1-26(14-6-3-12(21)4-7-14)19(28)17-18(25-20-24-9-2-10-27(17)20)29-16-8-5-13(22)11-15(16)23/h2-11H,1H3
InChIKeyWBHADEMANSPYJD-UHFFFAOYSA-N
MW414.80 g/mol
LogP4.73
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553473) has the molecular formula C20H13ClF2N4O2 and a molecular weight of 414.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553473
Molecular FormulaC20H13ClF2N4O2
Molecular Weight414.80 g/mol
Exact Mass414.07
IUPAC NameN-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Oc2ccc(F)cc2F)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClF2N4O2/c1-26(14-6-3-12(21)4-7-14)19(28)17-18(25-20-24-9-2-10-27(17)20)29-16-8-5-13(22)11-15(16)23/h2-11H,1H3
InChIKeyWBHADEMANSPYJD-UHFFFAOYSA-N
XLogP4.73
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.80
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-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

Related Compounds

N-(4-chlorophenyl)-N'-{4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}urea
CID 52945251
6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 141476270
N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 155532234
N-(4-chlorophenyl)-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126471592
1-(6-chloropyridin-3-yl)-9-methyl-2-(3,4,5-trifluorophenoxy)-1H-purin-6(9H)-one
CID 24957895
N-(2-chloro-4-pyridinyl)-7-fluoro-1-methyl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 54755161
1-(4-Chlorophenyl)-2-(2,4-difluorophenoxy)-9-ethylpurin-6-one
CID 57614143
1-(4-Chlorophenyl)-9-ethyl-2-(2,3,4-trifluorophenoxy)purin-6-one
CID 57614149
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553384
2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553387
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553388
2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553472

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553473) is N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CN(C(=O)c1c(Oc2ccc(F)cc2F)nc2ncccn12)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WBHADEMANSPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4O2/c1-26(14-6-3-12(21)4-7-14)19(28)17-18(25-20-24-9-2-10-27(17)20)29-16-8-5-13(22)11-15(16)23/h2-11H,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 414.80 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).