2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C21H16F2N4O2 — CID 71553290

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2nc3ncccn3c2C(=O)N(C)c2ccc(F)cc2)cc1F
InChIInChI=1S/C21H16F2N4O2/c1-26(15-7-5-14(22)6-8-15)20(28)19-18(25-21-24-10-3-11-27(19)21)13-4-9-17(29-2)16(23)12-13/h3-12H,1-2H3
InChIKeyKFOSISPFQATYAS-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.96
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553290) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553290
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2nc3ncccn3c2C(=O)N(C)c2ccc(F)cc2)cc1F
InChIInChI=1S/C21H16F2N4O2/c1-26(15-7-5-14(22)6-8-15)20(28)19-18(25-21-24-10-3-11-27(19)21)13-4-9-17(29-2)16(23)12-13/h3-12H,1-2H3
InChIKeyKFOSISPFQATYAS-UHFFFAOYSA-N
XLogP3.96
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-bis(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71554419
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71554246
ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine-3-carbonyl]-methylamino]benzoate
CID 118045047
2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553637
N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553473
[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-yl]methanamine
CID 95474904
N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553723
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71554070
2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole
CID 155806887
N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide
CID 99713372
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 82299531

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553290) is 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is COc1ccc(-c2nc3ncccn3c2C(=O)N(C)c2ccc(F)cc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KFOSISPFQATYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c1-26(15-7-5-14(22)6-8-15)20(28)19-18(25-21-24-10-3-11-27(19)21)13-4-9-17(29-2)16(23)12-13/h3-12H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).