N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide

C20H14ClFN4O — CID 123139259

IUPACN-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCN(C(=O)c1ccn2cc(-c3ccc(F)cc3)nc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN4O/c1-25(16-8-4-14(21)5-9-16)19(27)17-10-11-26-12-18(24-20(26)23-17)13-2-6-15(22)7-3-13/h2-12H,1H3
InChIKeyCSHKOLOKMKOJMZ-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.47
Rot. Bonds3

About N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide

N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 123139259) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID123139259
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC NameN-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCN(C(=O)c1ccn2cc(-c3ccc(F)cc3)nc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN4O/c1-25(16-8-4-14(21)5-9-16)19(27)17-10-11-26-12-18(24-20(26)23-17)13-2-6-15(22)7-3-13/h2-12H,1H3
InChIKeyCSHKOLOKMKOJMZ-UHFFFAOYSA-N
XLogP4.47
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Saripidem
CID 3058746
2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenyl-acetamide
CID 11328255
1-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)-2-(pyridin-3-ylamino)ethanone
CID 46899937
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899941
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899942
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469411
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67402849
6-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234858
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235232
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71293843
N-Butyl-2-[6-chloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-phenyl-acetamide
CID 11316920
2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080296

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide (CID 123139259) is N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide is CN(C(=O)c1ccn2cc(-c3ccc(F)cc3)nc2n1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is CSHKOLOKMKOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-25(16-8-4-14(21)5-9-16)19(27)17-10-11-26-12-18(24-20(26)23-17)13-2-6-15(22)7-3-13/h2-12H,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide?
N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 380.81 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 123139259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).